2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one

C21H20N6O — CID 135891008

IUPAC2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCN(Cc1cccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)c1)Cc1ccn[nH]1
InChIInChI=1S/C21H20N6O/c1-27(14-18-7-9-23-26-18)13-15-4-2-5-16(10-15)21-24-19(11-20(28)25-21)17-6-3-8-22-12-17/h2-12H,13-14H2,1H3,(H,23,26)(H,24,25,28)
InChIKeyZWVYZDROZCXSOE-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.85
Rot. Bonds6

About 2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one

2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 135891008) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID135891008
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCN(Cc1cccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)c1)Cc1ccn[nH]1
InChIInChI=1S/C21H20N6O/c1-27(14-18-7-9-23-26-18)13-15-4-2-5-16(10-15)21-24-19(11-20(28)25-21)17-6-3-8-22-12-17/h2-12H,13-14H2,1H3,(H,23,26)(H,24,25,28)
InChIKeyZWVYZDROZCXSOE-UHFFFAOYSA-N
XLogP2.85
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135948717
2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136668740
N,N-dimethyl-2-[methyl-[[4-(6-oxo-4-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]amino]acetamide;2,2,2-trifluoroacetic acid
CID 154890364
2-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one;bis(2,2,2-trifluoroacetic acid)
CID 154891318
4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one
CID 135906353
2-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135966207
4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692272
2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135418402
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 139270583
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
2-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135966306
4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 135978217

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one (CID 135891008) is 2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one is CN(Cc1cccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)c1)Cc1ccn[nH]1.
What is the InChIKey of 2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is ZWVYZDROZCXSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-27(14-18-7-9-23-26-18)13-15-4-2-5-16(10-15)21-24-19(11-20(28)25-21)17-6-3-8-22-12-17/h2-12H,13-14H2,1H3,(H,23,26)(H,24,25,28).
What are the key properties of 2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 372.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135891008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).