1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine

C17H22N4 — CID 117224089

IUPAC1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
SMILESCc1cccc(Cc2cnc(N3CCC(N)CC3)nc2)c1
InChIInChI=1S/C17H22N4/c1-13-3-2-4-14(9-13)10-15-11-19-17(20-12-15)21-7-5-16(18)6-8-21/h2-4,9,11-12,16H,5-8,10,18H2,1H3
InChIKeyNIHMVYFXWKLLNA-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.30
Rot. Bonds3

About 1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine

1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine (PubChem CID 117224089) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
PubChem CID117224089
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
SMILESCc1cccc(Cc2cnc(N3CCC(N)CC3)nc2)c1
InChIInChI=1S/C17H22N4/c1-13-3-2-4-14(9-13)10-15-11-19-17(20-12-15)21-7-5-16(18)6-8-21/h2-4,9,11-12,16H,5-8,10,18H2,1H3
InChIKeyNIHMVYFXWKLLNA-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224093
1-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224100
1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224095
2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 10020675
1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine
CID 117224507
1-(5-hexylpyrimidin-2-yl)piperidin-4-amine
CID 103278601
1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 117224077
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798846
5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine
CID 117224214
1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-amine
CID 103278591

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine (CID 117224089) is 1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine is Cc1cccc(Cc2cnc(N3CCC(N)CC3)nc2)c1.
What is the InChIKey of 1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is NIHMVYFXWKLLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-3-2-4-14(9-13)10-15-11-19-17(20-12-15)21-7-5-16(18)6-8-21/h2-4,9,11-12,16H,5-8,10,18H2,1H3.
What are the key properties of 1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine?
1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 117224089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).