4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine

C13H13ClFN3 — CID 113324799

IUPAC4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H13ClFN3/c1-2-6-16-13-17-7-5-12(18-13)9-3-4-11(15)10(14)8-9/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyCYRZKUYNOSTAAQ-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.76
Rot. Bonds4

About 4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine

4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine (PubChem CID 113324799) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine
PubChem CID113324799
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H13ClFN3/c1-2-6-16-13-17-7-5-12(18-13)9-3-4-11(15)10(14)8-9/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyCYRZKUYNOSTAAQ-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine
CID 70871060
N-propyl-4-quinolin-7-ylpyrimidin-2-amine
CID 81221832
4-(3-chloro-4-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 115504576
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
CID 112881814
4-(5-methyl-3-pyridinyl)-N-propylpyrimidin-2-amine
CID 115375546
2-[4-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethanethiol
CID 116900458
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268814
4-(4-chlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80888094
5-bromo-4-N-(3-chloro-4-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80755640
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486675
4-(3,4-dichlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891234

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine (CID 113324799) is 4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine is CCCNc1nccc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine?
The InChIKey is CYRZKUYNOSTAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-2-6-16-13-17-7-5-12(18-13)9-3-4-11(15)10(14)8-9/h3-5,7-8H,2,6H2,1H3,(H,16,17,18).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine?
4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine has a molecular weight of 265.72 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 113324799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).