5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one

C11H16N6O — CID 136976291

IUPAC5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nn(C)c(C)c1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H16N6O/c1-6-8(7(2)17(3)16-6)4-13-10-9(12)11(18)15-5-14-10/h5H,4,12H2,1-3H3,(H2,13,14,15,18)
InChIKeyZGQSIZDBVCSIEO-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.31
Rot. Bonds3

About 5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976291) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976291
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nn(C)c(C)c1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H16N6O/c1-6-8(7(2)17(3)16-6)4-13-10-9(12)11(18)15-5-14-10/h5H,4,12H2,1-3H3,(H2,13,14,15,18)
InChIKeyZGQSIZDBVCSIEO-UHFFFAOYSA-N
XLogP0.31
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 135575672
6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848886
5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976247
5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 137016701
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848172
2,5-dichloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 79633437
5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
CID 136973357
5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 79224507
3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 112675968

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one (CID 136976291) is 5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one is Cc1nn(C)c(C)c1CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZGQSIZDBVCSIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-6-8(7(2)17(3)16-6)4-13-10-9(12)11(18)15-5-14-10/h5H,4,12H2,1-3H3,(H2,13,14,15,18).
What are the key properties of 5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 248.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).