[1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine

C17H22N4 — CID 103279176

IUPAC[1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine
SMILESCc1cccc(-c2ccnc(N3CCCCC3CN)n2)c1
InChIInChI=1S/C17H22N4/c1-13-5-4-6-14(11-13)16-8-9-19-17(20-16)21-10-3-2-7-15(21)12-18/h4-6,8-9,11,15H,2-3,7,10,12,18H2,1H3
InChIKeyVXYQOVARZBMOET-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.77
Rot. Bonds3

About [1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine

[1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine (PubChem CID 103279176) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is [1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine
PubChem CID103279176
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name[1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine
SMILESCc1cccc(-c2ccnc(N3CCCCC3CN)n2)c1
InChIInChI=1S/C17H22N4/c1-13-5-4-6-14(11-13)16-8-9-19-17(20-16)21-10-3-2-7-15(21)12-18/h4-6,8-9,11,15H,2-3,7,10,12,18H2,1H3
InChIKeyVXYQOVARZBMOET-UHFFFAOYSA-N
XLogP2.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine (CID 103279176) is [1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine is Cc1cccc(-c2ccnc(N3CCCCC3CN)n2)c1.
What is the InChIKey of [1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine?
The InChIKey is VXYQOVARZBMOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-5-4-6-14(11-13)16-8-9-19-17(20-16)21-10-3-2-7-15(21)12-18/h4-6,8-9,11,15H,2-3,7,10,12,18H2,1H3.
What are the key properties of [1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine?
[1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103279176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).