[2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine

C14H11FN4O — CID 168965493

IUPAC[2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(F)cc2)nc1-c1ncco1
InChIInChI=1S/C14H11FN4O/c15-11-3-1-9(2-4-11)13-18-8-10(7-16)12(19-13)14-17-5-6-20-14/h1-6,8H,7,16H2
InChIKeyAMQSIWOUWCHFBY-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.40
Rot. Bonds3

About [2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine

[2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine (PubChem CID 168965493) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine
PubChem CID168965493
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name[2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(F)cc2)nc1-c1ncco1
InChIInChI=1S/C14H11FN4O/c15-11-3-1-9(2-4-11)13-18-8-10(7-16)12(19-13)14-17-5-6-20-14/h1-6,8H,7,16H2
InChIKeyAMQSIWOUWCHFBY-UHFFFAOYSA-N
XLogP2.40
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine (CID 168965493) is [2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine is NCc1cnc(-c2ccc(F)cc2)nc1-c1ncco1.
What is the InChIKey of [2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine?
The InChIKey is AMQSIWOUWCHFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-3-1-9(2-4-11)13-18-8-10(7-16)12(19-13)14-17-5-6-20-14/h1-6,8H,7,16H2.
What are the key properties of [2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine?
[2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine has a molecular weight of 270.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4-(1,3-oxazol-2-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 168965493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).