6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine

C18H23N3 — CID 63479516

IUPAC6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2cc(C)cc(C)c2)n1
InChIInChI=1S/C18H23N3/c1-4-7-19-17-11-16(14-5-6-14)20-18(21-17)15-9-12(2)8-13(3)10-15/h8-11,14H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyKUQOXJGXWFRFQE-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.46
Rot. Bonds5

About 6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine

6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine (PubChem CID 63479516) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
PubChem CID63479516
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2cc(C)cc(C)c2)n1
InChIInChI=1S/C18H23N3/c1-4-7-19-17-11-16(14-5-6-14)20-18(21-17)15-9-12(2)8-13(3)10-15/h8-11,14H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyKUQOXJGXWFRFQE-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
CID 63354131
3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 63354599
6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 63354580
6-cyclopropyl-2-(2,5-dimethylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 63354644
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486675
6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 63354393
6-cyclopropyl-2-(6-methoxy-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 114938366
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 81273052
6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 63354762
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79784106

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine (CID 63479516) is 6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(C2CC2)nc(-c2cc(C)cc(C)c2)n1.
What is the InChIKey of 6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is KUQOXJGXWFRFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-4-7-19-17-11-16(14-5-6-14)20-18(21-17)15-9-12(2)8-13(3)10-15/h8-11,14H,4-7H2,1-3H3,(H,19,20,21).
What are the key properties of 6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine?
6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(3,5-dimethylphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63479516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).