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

C9H12N6O — CID 136974356

IUPAC5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1[nH]ncc1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H12N6O/c1-5-6(3-14-15-5)2-11-8-7(10)9(16)13-4-12-8/h3-4H,2,10H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyFFBHSKLVPBQQJT-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.00
Rot. Bonds3

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

5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136974356) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136974356
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1[nH]ncc1CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H12N6O/c1-5-6(3-14-15-5)2-11-8-7(10)9(16)13-4-12-8/h3-4H,2,10H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyFFBHSKLVPBQQJT-UHFFFAOYSA-N
XLogP-0.00
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 135575672
4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978664
6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine
CID 113434107
5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136976407
5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975652
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136976291
5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 137016701
5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one
CID 136975236
1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one
CID 62940429
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one (CID 136974356) is 5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one is Cc1[nH]ncc1CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is FFBHSKLVPBQQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-5-6(3-14-15-5)2-11-8-7(10)9(16)13-4-12-8/h3-4H,2,10H2,1H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 220.24 g/mol, XLogP of -0.00, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).