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

C8H10N6O — CID 136974016

IUPAC5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
SMILESCn1cc(Nc2nc[nH]c(=O)c2N)cn1
InChIInChI=1S/C8H10N6O/c1-14-3-5(2-12-14)13-7-6(9)8(15)11-4-10-7/h2-4H,9H2,1H3,(H2,10,11,13,15)
InChIKeyMWLZEDTUUCJXIY-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.17
Rot. Bonds2

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

5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136974016) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136974016
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
SMILESCn1cc(Nc2nc[nH]c(=O)c2N)cn1
InChIInChI=1S/C8H10N6O/c1-14-3-5(2-12-14)13-7-6(9)8(15)11-4-10-7/h2-4H,9H2,1H3,(H2,10,11,13,15)
InChIKeyMWLZEDTUUCJXIY-UHFFFAOYSA-N
XLogP-0.17
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-(4-butylanilino)-1H-pyrimidin-6-one
CID 135709693
methyl 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]benzoate
CID 135575665
2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 114785632
4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956113
5-amino-4-[(5-bromo-2-pyridinyl)amino]-1H-pyrimidin-6-one
CID 135568334
5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692282
5-amino-4-[(6-methyl-2-pyridinyl)amino]-1H-pyrimidin-6-one
CID 135709701
5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 135568342
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974394
6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine
CID 129275714
7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 172767592

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one (CID 136974016) is 5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one is Cn1cc(Nc2nc[nH]c(=O)c2N)cn1.
What is the InChIKey of 5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is MWLZEDTUUCJXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-14-3-5(2-12-14)13-7-6(9)8(15)11-4-10-7/h2-4H,9H2,1H3,(H2,10,11,13,15).
What are the key properties of 5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 206.21 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).