N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine

C15H10ClFN4 — CID 110170632

IUPACN-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine
SMILESFc1ccccc1-c1ccnc(Nc2ccc(Cl)nc2)n1
InChIInChI=1S/C15H10ClFN4/c16-14-6-5-10(9-19-14)20-15-18-8-7-13(21-15)11-3-1-2-4-12(11)17/h1-9H,(H,18,20,21)
InChIKeyKIJWMNOEHLKBEU-UHFFFAOYSA-N
MW300.72 g/mol
LogP4.07
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine

N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine (PubChem CID 110170632) has the molecular formula C15H10ClFN4 and a molecular weight of 300.72 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine
PubChem CID110170632
Molecular FormulaC15H10ClFN4
Molecular Weight300.72 g/mol
Exact Mass300.06
IUPAC NameN-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine
SMILESFc1ccccc1-c1ccnc(Nc2ccc(Cl)nc2)n1
InChIInChI=1S/C15H10ClFN4/c16-14-6-5-10(9-19-14)20-15-18-8-7-13(21-15)11-3-1-2-4-12(11)17/h1-9H,(H,18,20,21)
InChIKeyKIJWMNOEHLKBEU-UHFFFAOYSA-N
XLogP4.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 11255595
N-(6-chloro-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10177326
2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile
CID 123706959
6-chloro-N-phenylpyridin-3-amine
CID 175055218
4-(5-chloro-7-fluoro-1H-indol-3-yl)-N-phenylpyrimidin-2-amine
CID 70156553
N-(4-chlorophenyl)-4-(2-phenyl-1H-imidazol-5-yl)pyrimidin-2-amine
CID 71378975
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 84682667
4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71233786
N-(6-chloro-3-pyridinyl)-6-phenoxyisoquinolin-1-amine
CID 170435766
N-(6-chloro-3-pyridinyl)-1,7-naphthyridin-8-amine
CID 170436025
4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990162
3-N-[3-chloro-4-(2-fluorophenyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 118632476

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine (CID 110170632) is N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine is Fc1ccccc1-c1ccnc(Nc2ccc(Cl)nc2)n1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine?
The InChIKey is KIJWMNOEHLKBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4/c16-14-6-5-10(9-19-14)20-15-18-8-7-13(21-15)11-3-1-2-4-12(11)17/h1-9H,(H,18,20,21).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine?
N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine has a molecular weight of 300.72 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 110170632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).