1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine

C16H20N4 — CID 117224077

IUPAC1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCc1ccccc1-c1cnc(N2CCC(N)CC2)nc1
InChIInChI=1S/C16H20N4/c1-12-4-2-3-5-15(12)13-10-18-16(19-11-13)20-8-6-14(17)7-9-20/h2-5,10-11,14H,6-9,17H2,1H3
InChIKeySBLYTHCGNZEAES-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.38
Rot. Bonds2

About 1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine

1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 117224077) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine
PubChem CID117224077
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCc1ccccc1-c1cnc(N2CCC(N)CC2)nc1
InChIInChI=1S/C16H20N4/c1-12-4-2-3-5-15(12)13-10-18-16(19-11-13)20-8-6-14(17)7-9-20/h2-5,10-11,14H,6-9,17H2,1H3
InChIKeySBLYTHCGNZEAES-UHFFFAOYSA-N
XLogP2.38
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 116976754
1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine
CID 103278594
1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine
CID 116976142
1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine
CID 116976141
1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]piperidin-4-amine
CID 117209870
1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-amine
CID 103278591
5-(2-methylphenyl)pyrimidin-2-amine
CID 11309934
1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine
CID 117224507
1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224095
1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224089
1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793968
1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 116976731

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine (CID 117224077) is 1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine is Cc1ccccc1-c1cnc(N2CCC(N)CC2)nc1.
What is the InChIKey of 1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is SBLYTHCGNZEAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-4-2-3-5-15(12)13-10-18-16(19-11-13)20-8-6-14(17)7-9-20/h2-5,10-11,14H,6-9,17H2,1H3.
What are the key properties of 1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine?
1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 117224077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).