4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine

C17H19N3 — CID 154964689

IUPAC4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine
SMILESCc1ccc(-c2ncc(C3=CCC(N)CC3)cn2)cc1
InChIInChI=1S/C17H19N3/c1-12-2-4-14(5-3-12)17-19-10-15(11-20-17)13-6-8-16(18)9-7-13/h2-6,10-11,16H,7-9,18H2,1H3
InChIKeyCYRATRQCZYTLJO-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.35
Rot. Bonds2

About 4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine

4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine (PubChem CID 154964689) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine
PubChem CID154964689
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine
SMILESCc1ccc(-c2ncc(C3=CCC(N)CC3)cn2)cc1
InChIInChI=1S/C17H19N3/c1-12-2-4-14(5-3-12)17-19-10-15(11-20-17)13-6-8-16(18)9-7-13/h2-6,10-11,16H,7-9,18H2,1H3
InChIKeyCYRATRQCZYTLJO-UHFFFAOYSA-N
XLogP3.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine?
The IUPAC name of 4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine (CID 154964689) is 4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine.
What is the SMILES notation for 4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine?
The canonical SMILES for 4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine is Cc1ccc(-c2ncc(C3=CCC(N)CC3)cn2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine?
The InChIKey is CYRATRQCZYTLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-2-4-14(5-3-12)17-19-10-15(11-20-17)13-6-8-16(18)9-7-13/h2-6,10-11,16H,7-9,18H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine?
4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine has a molecular weight of 265.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)pyrimidin-5-yl]cyclohex-3-en-1-amine is sourced from PubChem (CID 154964689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).