6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine

C19H26N6O4S — CID 137417728

IUPAC6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine
SMILESCOc1cc(-c2nc(N=S(C)(=O)C3COC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1
InChIInChI=1S/C19H26N6O4S/c1-12-9-28-5-4-25(12)17-8-16(24-30(3,26)14-10-29-11-14)22-19(23-17)13-6-15(20)21-18(7-13)27-2/h6-8,12,14H,4-5,9-11H2,1-3H3,(H2,20,21)/t12-,30?/m1/s1
InChIKeyKYFDEZCOCVVHRB-KTDAUSLXSA-N
MW434.52 g/mol
LogP1.48
Rot. Bonds5

About 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine

6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine (PubChem CID 137417728) has the molecular formula C19H26N6O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine
PubChem CID137417728
Molecular FormulaC19H26N6O4S
Molecular Weight434.52 g/mol
Exact Mass434.17
IUPAC Name6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine
SMILESCOc1cc(-c2nc(N=S(C)(=O)C3COC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1
InChIInChI=1S/C19H26N6O4S/c1-12-9-28-5-4-25(12)17-8-16(24-30(3,26)14-10-29-11-14)22-19(23-17)13-6-15(20)21-18(7-13)27-2/h6-8,12,14H,4-5,9-11H2,1-3H3,(H2,20,21)/t12-,30?/m1/s1
InChIKeyKYFDEZCOCVVHRB-KTDAUSLXSA-N
XLogP1.48
TPSA125.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine 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-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine (CID 137417728) is 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine is COc1cc(-c2nc(N=S(C)(=O)C3COC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1.
What is the InChIKey of 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine?
The InChIKey is KYFDEZCOCVVHRB-KTDAUSLXSA-N. The full InChI is InChI=1S/C19H26N6O4S/c1-12-9-28-5-4-25(12)17-8-16(24-30(3,26)14-10-29-11-14)22-19(23-17)13-6-15(20)21-18(7-13)27-2/h6-8,12,14H,4-5,9-11H2,1-3H3,(H2,20,21)/t12-,30?/m1/s1.
What are the key properties of 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine?
6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine has a molecular weight of 434.52 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 137417728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).