2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C14H14FN3O2 — CID 79439840

IUPAC2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNC(c1nc(O)c(-c2ccccc2F)c(=O)[nH]1)C1CC1
InChIInChI=1S/C14H14FN3O2/c15-9-4-2-1-3-8(9)10-13(19)17-12(18-14(10)20)11(16)7-5-6-7/h1-4,7,11H,5-6,16H2,(H2,17,18,19,20)
InChIKeyAABRXXVXJSQHEB-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.69
Rot. Bonds3

About 2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79439840) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79439840
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNC(c1nc(O)c(-c2ccccc2F)c(=O)[nH]1)C1CC1
InChIInChI=1S/C14H14FN3O2/c15-9-4-2-1-3-8(9)10-13(19)17-12(18-14(10)20)11(16)7-5-6-7/h1-4,7,11H,5-6,16H2,(H2,17,18,19,20)
InChIKeyAABRXXVXJSQHEB-UHFFFAOYSA-N
XLogP1.69
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79439840) is 2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is NC(c1nc(O)c(-c2ccccc2F)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is AABRXXVXJSQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-9-4-2-1-3-8(9)10-13(19)17-12(18-14(10)20)11(16)7-5-6-7/h1-4,7,11H,5-6,16H2,(H2,17,18,19,20).
What are the key properties of 2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 275.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79439840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).