6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine

C14H14ClN3 — CID 80975338

IUPAC6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1-c1ccccc1Cl
InChIInChI=1S/C14H14ClN3/c1-8-12(10-4-2-3-5-11(10)15)17-14(9-6-7-9)18-13(8)16/h2-5,9H,6-7H2,1H3,(H2,16,17,18)
InChIKeyLUJVMMOFIVPMKE-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.57
Rot. Bonds2

About 6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine

6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80975338) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80975338
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1-c1ccccc1Cl
InChIInChI=1S/C14H14ClN3/c1-8-12(10-4-2-3-5-11(10)15)17-14(9-6-7-9)18-13(8)16/h2-5,9H,6-7H2,1H3,(H2,16,17,18)
InChIKeyLUJVMMOFIVPMKE-UHFFFAOYSA-N
XLogP3.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 80975439
2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine
CID 80977406
2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80975062
4-(2-chlorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine
CID 62077356
2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 103434518
4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80970010
4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline
CID 11279161
4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine
CID 112554811
4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine
CID 80974850
5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-1,3-oxazole
CID 142606816
2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80990216
3,5-dichloro-6-(2-chlorophenyl)pyridin-2-amine
CID 102753097

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80975338) is 6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1-c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is LUJVMMOFIVPMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-8-12(10-4-2-3-5-11(10)15)17-14(9-6-7-9)18-13(8)16/h2-5,9H,6-7H2,1H3,(H2,16,17,18).
What are the key properties of 6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 259.74 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80975338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).