2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one

C15H15N5O — CID 136974643

IUPAC2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCc2ccc(-c3ccn[nH]3)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H15N5O/c1-10-18-14(8-15(21)19-10)16-9-11-2-4-12(5-3-11)13-6-7-17-20-13/h2-8H,9H2,1H3,(H,17,20)(H2,16,18,19,21)
InChIKeyFBNVYQCKONMHLD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.08
Rot. Bonds4

About 2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one

2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136974643) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136974643
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCc2ccc(-c3ccn[nH]3)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H15N5O/c1-10-18-14(8-15(21)19-10)16-9-11-2-4-12(5-3-11)13-6-7-17-20-13/h2-8H,9H2,1H3,(H,17,20)(H2,16,18,19,21)
InChIKeyFBNVYQCKONMHLD-UHFFFAOYSA-N
XLogP2.08
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136989527
2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one
CID 137084170
4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974051
4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136975577
2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136937279
6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine
CID 106194086
2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973791
4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972721
2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 137015526
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 43733257

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one (CID 136974643) is 2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one is Cc1nc(NCc2ccc(-c3ccn[nH]3)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is FBNVYQCKONMHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-18-14(8-15(21)19-10)16-9-11-2-4-12(5-3-11)13-6-7-17-20-13/h2-8H,9H2,1H3,(H,17,20)(H2,16,18,19,21).
What are the key properties of 2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 281.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).