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

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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).