2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine

C14H14ClFN4O — CID 177307066

IUPAC2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine
SMILESNc1cnc(-c2cc(Cl)cc(C3COCCN3)c2)nc1F
InChIInChI=1S/C14H14ClFN4O/c15-10-4-8(12-7-21-2-1-18-12)3-9(5-10)14-19-6-11(17)13(16)20-14/h3-6,12,18H,1-2,7,17H2
InChIKeyFRMQCYHQJDLPHT-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.18
Rot. Bonds2

About 2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine

2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine (PubChem CID 177307066) has the molecular formula C14H14ClFN4O and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine.

Molecular Properties

Compound Name2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine
PubChem CID177307066
Molecular FormulaC14H14ClFN4O
Molecular Weight308.74 g/mol
Exact Mass308.08
IUPAC Name2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine
SMILESNc1cnc(-c2cc(Cl)cc(C3COCCN3)c2)nc1F
InChIInChI=1S/C14H14ClFN4O/c15-10-4-8(12-7-21-2-1-18-12)3-9(5-10)14-19-6-11(17)13(16)20-14/h3-6,12,18H,1-2,7,17H2
InChIKeyFRMQCYHQJDLPHT-UHFFFAOYSA-N
XLogP2.18
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine?
The IUPAC name of 2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine (CID 177307066) is 2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine.
What is the SMILES notation for 2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine?
The canonical SMILES for 2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine is Nc1cnc(-c2cc(Cl)cc(C3COCCN3)c2)nc1F.
What is the InChIKey of 2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine?
The InChIKey is FRMQCYHQJDLPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O/c15-10-4-8(12-7-21-2-1-18-12)3-9(5-10)14-19-6-11(17)13(16)20-14/h3-6,12,18H,1-2,7,17H2.
What are the key properties of 2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine?
2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine has a molecular weight of 308.74 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-morpholin-3-ylphenyl)-4-fluoropyrimidin-5-amine is sourced from PubChem (CID 177307066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).