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

C17H22N4 — CID 103278628

IUPAC1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCc1ccc(C)c(-c2ccnc(N3CCC(N)CC3)n2)c1
InChIInChI=1S/C17H22N4/c1-12-3-4-13(2)15(11-12)16-5-8-19-17(20-16)21-9-6-14(18)7-10-21/h3-5,8,11,14H,6-7,9-10,18H2,1-2H3
InChIKeyULUMWXIMRMZQPG-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.69
Rot. Bonds2

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

1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 103278628) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine
PubChem CID103278628
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCc1ccc(C)c(-c2ccnc(N3CCC(N)CC3)n2)c1
InChIInChI=1S/C17H22N4/c1-12-3-4-13(2)15(11-12)16-5-8-19-17(20-16)21-9-6-14(18)7-10-21/h3-5,8,11,14H,6-7,9-10,18H2,1-2H3
InChIKeyULUMWXIMRMZQPG-UHFFFAOYSA-N
XLogP2.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899155
4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
CID 82487669
1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278648
1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278590
1-(8-methyl-5H-indeno[1,2-d]pyrimidin-2-yl)piperidin-4-amine
CID 103278636
1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine
CID 107355306
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
CID 116898685
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
1-(4-propylpyrimidin-2-yl)piperidin-4-amine
CID 117224317
ethyl 1-[4-[2-[(4-bromo-2-methylphenyl)methoxy]-5-methylphenyl]pyrimidin-2-yl]piperidine-4-carboxylate
CID 68718698
4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
CID 51371027

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine (CID 103278628) is 1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine is Cc1ccc(C)c(-c2ccnc(N3CCC(N)CC3)n2)c1.
What is the InChIKey of 1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is ULUMWXIMRMZQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-3-4-13(2)15(11-12)16-5-8-19-17(20-16)21-9-6-14(18)7-10-21/h3-5,8,11,14H,6-7,9-10,18H2,1-2H3.
What are the key properties of 1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine?
1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 103278628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).