5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide

C20H27N7O2 — CID 149305714

IUPAC5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(NC(=O)C3=C(N)CN(C)CC3)c2)n1
InChIInChI=1S/C20H27N7O2/c1-12-9-18(22-2)26-20(23-12)24-13-5-6-17(29-4)16(10-13)25-19(28)14-7-8-27(3)11-15(14)21/h5-6,9-10H,7-8,11,21H2,1-4H3,(H,25,28)(H2,22,23,24,26)
InChIKeyJGZQHQSBTAHHIB-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.07
Rot. Bonds6

About 5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide

5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 149305714) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID149305714
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(NC(=O)C3=C(N)CN(C)CC3)c2)n1
InChIInChI=1S/C20H27N7O2/c1-12-9-18(22-2)26-20(23-12)24-13-5-6-17(29-4)16(10-13)25-19(28)14-7-8-27(3)11-15(14)21/h5-6,9-10H,7-8,11,21H2,1-4H3,(H,25,28)(H2,22,23,24,26)
InChIKeyJGZQHQSBTAHHIB-UHFFFAOYSA-N
XLogP2.07
TPSA117.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide with MolForge

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Related Compounds

2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 146338989
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
2-N-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146397993
(1R)-1-(azetidin-1-yl)-1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]propan-2-ol
CID 154616323
1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]-1-pyrrolidin-1-ylpropan-2-ol
CID 138562035
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337413
2-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337704
3-[[2-[4-methoxy-3-(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)anilino]-6-methylpyrimidin-4-yl]amino]-N-methylpropanamide
CID 146339164
N-[3-[[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931253
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337749
2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 145385464

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 149305714) is 5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide is CNc1cc(C)nc(Nc2ccc(OC)c(NC(=O)C3=C(N)CN(C)CC3)c2)n1.
What is the InChIKey of 5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is JGZQHQSBTAHHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-12-9-18(22-2)26-20(23-12)24-13-5-6-17(29-4)16(10-13)25-19(28)14-7-8-27(3)11-15(14)21/h5-6,9-10H,7-8,11,21H2,1-4H3,(H,25,28)(H2,22,23,24,26).
What are the key properties of 5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.07, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 149305714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).