4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine

C14H15ClFN3 — CID 105396175

IUPAC4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-3-6-17-14-18-8-9(2)13(19-14)11-7-10(16)4-5-12(11)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyVFEHYQJWWSMICJ-UHFFFAOYSA-N
MW279.75 g/mol
LogP4.07
Rot. Bonds4

About 4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine

4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 105396175) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine
PubChem CID105396175
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-3-6-17-14-18-8-9(2)13(19-14)11-7-10(16)4-5-12(11)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyVFEHYQJWWSMICJ-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine (CID 105396175) is 4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is VFEHYQJWWSMICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-3-6-17-14-18-8-9(2)13(19-14)11-7-10(16)4-5-12(11)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine?
4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 279.75 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 105396175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).