5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one

C10H12ClN5O — CID 136971007

IUPAC5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
SMILESCN(Cc1cnn(C)c1)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H12ClN5O/c1-15(4-7-3-14-16(2)5-7)9-8(11)10(17)13-6-12-9/h3,5-6H,4H2,1-2H3,(H,12,13,17)
InChIKeyXNPMRWJQXZHAKS-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.79
Rot. Bonds3

About 5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one

5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one (PubChem CID 136971007) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
PubChem CID136971007
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
SMILESCN(Cc1cnn(C)c1)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H12ClN5O/c1-15(4-7-3-14-16(2)5-7)9-8(11)10(17)13-6-12-9/h3,5-6H,4H2,1-2H3,(H,12,13,17)
InChIKeyXNPMRWJQXZHAKS-UHFFFAOYSA-N
XLogP0.79
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136970695
5-chloro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1H-pyrimidin-6-one
CID 137009644
5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009363
5-chloro-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009951
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137009015
5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one
CID 136971313
5-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 55054503
5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80799540
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007500
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 79532541
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630281

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one (CID 136971007) is 5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one is CN(Cc1cnn(C)c1)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one?
The InChIKey is XNPMRWJQXZHAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-15(4-7-3-14-16(2)5-7)9-8(11)10(17)13-6-12-9/h3,5-6H,4H2,1-2H3,(H,12,13,17).
What are the key properties of 5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one?
5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one has a molecular weight of 253.69 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136971007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).