6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine

C14H14ClF2N3 — CID 80970481

IUPAC6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H14ClF2N3/c1-3-4-12-19-13(15)8(2)14(20-12)18-11-6-9(16)5-10(17)7-11/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyHMMYTQVZJSRSNV-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.41
Rot. Bonds4

About 6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80970481) has the molecular formula C14H14ClF2N3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80970481
Molecular FormulaC14H14ClF2N3
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H14ClF2N3/c1-3-4-12-19-13(15)8(2)14(20-12)18-11-6-9(16)5-10(17)7-11/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyHMMYTQVZJSRSNV-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973603
6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971215
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile
CID 80973323
N-(2-bromo-6-fluorophenyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 107602353
6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974136
6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973608
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007658
6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489
6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine
CID 55169285
6-chloro-2-ethyl-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80970680
6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 114126490

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80970481) is 6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of 6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is HMMYTQVZJSRSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3/c1-3-4-12-19-13(15)8(2)14(20-12)18-11-6-9(16)5-10(17)7-11/h5-7H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 297.74 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80970481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).