2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine

C10H7ClFN3 — CID 116795301

IUPAC2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C10H7ClFN3/c11-7-3-6(4-8(12)5-7)10-14-2-1-9(13)15-10/h1-5H,(H2,13,14,15)
InChIKeySQTMDYUGRUPPRF-UHFFFAOYSA-N
MW223.64 g/mol
LogP2.52
Rot. Bonds1

About 2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine

2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine (PubChem CID 116795301) has the molecular formula C10H7ClFN3 and a molecular weight of 223.64 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
PubChem CID116795301
Molecular FormulaC10H7ClFN3
Molecular Weight223.64 g/mol
Exact Mass223.03
IUPAC Name2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C10H7ClFN3/c11-7-3-6(4-8(12)5-7)10-14-2-1-9(13)15-10/h1-5H,(H2,13,14,15)
InChIKeySQTMDYUGRUPPRF-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.64
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile
CID 116795274
2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine
CID 114454535
6-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 115504598
2-(3-chloro-5-fluorophenyl)-4-fluoropyridine
CID 102824538
3-(3-chloro-5-fluorophenyl)pyrazin-2-amine
CID 115504800
6-amino-3-(3-chloro-5-fluorophenyl)pyridine-2-carboxylic acid
CID 53229415
4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine
CID 115504839
2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
CID 115528420
5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine
CID 175669976
[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol
CID 107918136
[2-(3,5-difluorophenyl)pyrimidin-4-yl]methanol
CID 62749028
6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 115504767

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine (CID 116795301) is 2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine is Nc1ccnc(-c2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine?
The InChIKey is SQTMDYUGRUPPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3/c11-7-3-6(4-8(12)5-7)10-14-2-1-9(13)15-10/h1-5H,(H2,13,14,15).
What are the key properties of 2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine?
2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine has a molecular weight of 223.64 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 116795301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).