6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide

C19H27N7O3S — CID 137405572

IUPAC6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOCC3C)n2)cc(N)n1
InChIInChI=1S/C19H27N7O3S/c1-5-21-19(27)14-8-13(9-15(20)22-14)18-23-16(25-30(3,4)28)10-17(24-18)26-6-7-29-11-12(26)2/h8-10,12H,5-7,11H2,1-4H3,(H2,20,22)(H,21,27)
InChIKeyPIMIAYKUZPUFLU-UHFFFAOYSA-N
MW433.54 g/mol
LogP1.45
Rot. Bonds5

About 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide

6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide (PubChem CID 137405572) has the molecular formula C19H27N7O3S and a molecular weight of 433.54 g/mol. Its IUPAC name is 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide
PubChem CID137405572
Molecular FormulaC19H27N7O3S
Molecular Weight433.54 g/mol
Exact Mass433.19
IUPAC Name6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOCC3C)n2)cc(N)n1
InChIInChI=1S/C19H27N7O3S/c1-5-21-19(27)14-8-13(9-15(20)22-14)18-23-16(25-30(3,4)28)10-17(24-18)26-6-7-29-11-12(26)2/h8-10,12H,5-7,11H2,1-4H3,(H2,20,22)(H,21,27)
InChIKeyPIMIAYKUZPUFLU-UHFFFAOYSA-N
XLogP1.45
TPSA135.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide (CID 137405572) is 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOCC3C)n2)cc(N)n1.
What is the InChIKey of 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide?
The InChIKey is PIMIAYKUZPUFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O3S/c1-5-21-19(27)14-8-13(9-15(20)22-14)18-23-16(25-30(3,4)28)10-17(24-18)26-6-7-29-11-12(26)2/h8-10,12H,5-7,11H2,1-4H3,(H2,20,22)(H,21,27).
What are the key properties of 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide?
6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 137405572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).