6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine

C15H15ClFN3 — CID 80970382

IUPAC6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCc1ccc(F)cc1Nc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C15H15ClFN3/c1-8-3-6-11(17)7-12(8)18-14-9(2)13(16)19-15(20-14)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,18,19,20)
InChIKeyRVFRDHFTMJNJPT-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.51
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 80970382) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
PubChem CID80970382
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
SMILESCc1ccc(F)cc1Nc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C15H15ClFN3/c1-8-3-6-11(17)7-12(8)18-14-9(2)13(16)19-15(20-14)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,18,19,20)
InChIKeyRVFRDHFTMJNJPT-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974137
6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80970384
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106193577
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 80970425
6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 80973859
6-chloro-2-cyclopropyl-N-(4-ethylphenyl)-5-methylpyrimidin-4-amine
CID 80970768
6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974347
N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979347
6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80977609
6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 63733892
6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 107530513
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine (CID 80970382) is 6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine is Cc1ccc(F)cc1Nc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is RVFRDHFTMJNJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c1-8-3-6-11(17)7-12(8)18-14-9(2)13(16)19-15(20-14)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 291.76 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80970382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).