6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane

C43H65N13O7S2 — CID 160569292

IUPAC6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane
SMILESC.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cc(NC(C)(C)C)nc(C(=O)O)c2)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cc(NC(C)(C)C)nc(C(N)=O)c2)n1
InChIInChI=1S/C21H31N7O3S.C21H30N6O4S.CH4/c1-13-12-31-8-7-28(13)18-11-17(27-32(5,6)30)24-20(25-18)14-9-15(19(22)29)23-16(10-14)26-21(2,3)4;1-13-12-31-8-7-27(13)18-11-17(26-32(5,6)30)23-19(24-18)14-9-15(20(28)29)22-16(10-14)25-21(2,3)4;/h9-11,13H,7-8,12H2,1-6H3,(H2,22,29)(H,23,26);9-11,13H,7-8,12H2,1-6H3,(H,22,25)(H,28,29);1H4/t2*13-;/m11./s1
InChIKeyRAIMPFGJWTXQJC-WFEKIRLUSA-N
MW940.21 g/mol
LogP6.10
Rot. Bonds10

About 6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane

6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane (PubChem CID 160569292) has the molecular formula C43H65N13O7S2 and a molecular weight of 940.21 g/mol. Its IUPAC name is 6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane.

Molecular Properties

Compound Name6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane
PubChem CID160569292
Molecular FormulaC43H65N13O7S2
Molecular Weight940.21 g/mol
Exact Mass939.46
IUPAC Name6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane
SMILESC.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cc(NC(C)(C)C)nc(C(=O)O)c2)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cc(NC(C)(C)C)nc(C(N)=O)c2)n1
InChIInChI=1S/C21H31N7O3S.C21H30N6O4S.CH4/c1-13-12-31-8-7-28(13)18-11-17(27-32(5,6)30)24-20(25-18)14-9-15(19(22)29)23-16(10-14)26-21(2,3)4;1-13-12-31-8-7-27(13)18-11-17(26-32(5,6)30)23-19(24-18)14-9-15(20(28)29)22-16(10-14)25-21(2,3)4;/h9-11,13H,7-8,12H2,1-6H3,(H2,22,29)(H,23,26);9-11,13H,7-8,12H2,1-6H3,(H,22,25)(H,28,29);1H4/t2*13-;/m11./s1
InChIKeyRAIMPFGJWTXQJC-WFEKIRLUSA-N
XLogP6.10
TPSA265.59 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.21
LogP ≤ 56.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide
CID 137405570
6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
CID 137417699
4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 137417888
6-chloro-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine
CID 137417788
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
6-amino-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridine-2-carbaldehyde
CID 137422297
dimethyl-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 174205306
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine
CID 155658783
4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine
CID 137417679
dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-[2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 137417745
[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 157051682

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane?
The IUPAC name of 6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane (CID 160569292) is 6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane.
What is the SMILES notation for 6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane?
The canonical SMILES for 6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane is C.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cc(NC(C)(C)C)nc(C(=O)O)c2)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2cc(NC(C)(C)C)nc(C(N)=O)c2)n1.
What is the InChIKey of 6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane?
The InChIKey is RAIMPFGJWTXQJC-WFEKIRLUSA-N. The full InChI is InChI=1S/C21H31N7O3S.C21H30N6O4S.CH4/c1-13-12-31-8-7-28(13)18-11-17(27-32(5,6)30)24-20(25-18)14-9-15(19(22)29)23-16(10-14)26-21(2,3)4;1-13-12-31-8-7-27(13)18-11-17(26-32(5,6)30)23-19(24-18)14-9-15(20(28)29)22-16(10-14)25-21(2,3)4;/h9-11,13H,7-8,12H2,1-6H3,(H2,22,29)(H,23,26);9-11,13H,7-8,12H2,1-6H3,(H,22,25)(H,28,29);1H4/t2*13-;/m11./s1.
What are the key properties of 6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane?
6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane has a molecular weight of 940.21 g/mol, XLogP of 6.10, 10 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxylic acid;methane is sourced from PubChem (CID 160569292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).