N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide

C19H23N7O2 — CID 146338976

IUPACN-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-n3nccc3CNC(C)=O)c2)n1
InChIInChI=1S/C19H23N7O2/c1-12-9-18(20-3)25-19(23-12)24-14-5-6-17(28-4)16(10-14)26-15(7-8-22-26)11-21-13(2)27/h5-10H,11H2,1-4H3,(H,21,27)(H2,20,23,24,25)
InChIKeyFSNCFORVYXRYFL-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.40
Rot. Bonds7

About N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide

N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide (PubChem CID 146338976) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide
PubChem CID146338976
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-n3nccc3CNC(C)=O)c2)n1
InChIInChI=1S/C19H23N7O2/c1-12-9-18(20-3)25-19(23-12)24-14-5-6-17(28-4)16(10-14)26-15(7-8-22-26)11-21-13(2)27/h5-10H,11H2,1-4H3,(H,21,27)(H2,20,23,24,25)
InChIKeyFSNCFORVYXRYFL-UHFFFAOYSA-N
XLogP2.40
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide with MolForge

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Related Compounds

2-N-[3-[4-(aminomethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146315861
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
N-[3-[[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931253
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-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146554427
2-N-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146397993
2-N-(4-chloro-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 153405928
1-[3-[[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112931251
2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 145385464
2-N-(3-furo[2,3-c]pyridin-5-yl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146339143
(1R)-1-(azetidin-1-yl)-1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]propan-2-ol
CID 154616323

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide?
The IUPAC name of N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide (CID 146338976) is N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide is CNc1cc(C)nc(Nc2ccc(OC)c(-n3nccc3CNC(C)=O)c2)n1.
What is the InChIKey of N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide?
The InChIKey is FSNCFORVYXRYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-12-9-18(20-3)25-19(23-12)24-14-5-6-17(28-4)16(10-14)26-15(7-8-22-26)11-21-13(2)27/h5-10H,11H2,1-4H3,(H,21,27)(H2,20,23,24,25).
What are the key properties of N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide?
N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]pyrazol-3-yl]methyl]acetamide is sourced from PubChem (CID 146338976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).