4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

C8H9N5O — CID 137275635

IUPAC4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1c(N)nc(-c2cn[nH]c2)[nH]c1=O
InChIInChI=1S/C8H9N5O/c1-4-6(9)12-7(13-8(4)14)5-2-10-11-3-5/h2-3H,1H3,(H,10,11)(H3,9,12,13,14)
InChIKeyAQWLICHBYGGKKT-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.05
Rot. Bonds1

About 4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 137275635) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID137275635
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1c(N)nc(-c2cn[nH]c2)[nH]c1=O
InChIInChI=1S/C8H9N5O/c1-4-6(9)12-7(13-8(4)14)5-2-10-11-3-5/h2-3H,1H3,(H,10,11)(H3,9,12,13,14)
InChIKeyAQWLICHBYGGKKT-UHFFFAOYSA-N
XLogP0.05
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (CID 137275635) is 4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is Cc1c(N)nc(-c2cn[nH]c2)[nH]c1=O.
What is the InChIKey of 4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is AQWLICHBYGGKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-4-6(9)12-7(13-8(4)14)5-2-10-11-3-5/h2-3H,1H3,(H,10,11)(H3,9,12,13,14).
What are the key properties of 4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 191.19 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137275635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).