2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one

C14H15N3O — CID 137016326

IUPAC2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CC2c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H15N3O/c1-9-15-13(8-14(18)16-9)17-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H2,15,16,17,18)
InChIKeyNDJIHFVWJQGXQM-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.05
Rot. Bonds3

About 2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one (PubChem CID 137016326) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one
PubChem CID137016326
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CC2c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H15N3O/c1-9-15-13(8-14(18)16-9)17-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H2,15,16,17,18)
InChIKeyNDJIHFVWJQGXQM-UHFFFAOYSA-N
XLogP2.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one (CID 137016326) is 2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one is Cc1nc(NC2CC2c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NDJIHFVWJQGXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-15-13(8-14(18)16-9)17-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).