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

C17H22N4 — CID 3059133

IUPACN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccc(CN2CCC(Nc3ncccn3)CC2)cc1
InChIInChI=1S/C17H22N4/c1-14-3-5-15(6-4-14)13-21-11-7-16(8-12-21)20-17-18-9-2-10-19-17/h2-6,9-10,16H,7-8,11-13H2,1H3,(H,18,19,20)
InChIKeyGZDJISAAGJUWJM-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.86
Rot. Bonds4

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

N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 3059133) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID3059133
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccc(CN2CCC(Nc3ncccn3)CC2)cc1
InChIInChI=1S/C17H22N4/c1-14-3-5-15(6-4-14)13-21-11-7-16(8-12-21)20-17-18-9-2-10-19-17/h2-6,9-10,16H,7-8,11-13H2,1H3,(H,18,19,20)
InChIKeyGZDJISAAGJUWJM-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
N-(1-ethylpiperidin-4-yl)pyrimidin-2-amine
CID 60667166
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 172893095
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
N-[1-[(3-ethoxy-4-pentoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 69151737
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901713
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine
CID 164820996
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
4-[4-[2-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbaldehyde
CID 142840716

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine (CID 3059133) is N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine is Cc1ccc(CN2CCC(Nc3ncccn3)CC2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is GZDJISAAGJUWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14-3-5-15(6-4-14)13-21-11-7-16(8-12-21)20-17-18-9-2-10-19-17/h2-6,9-10,16H,7-8,11-13H2,1H3,(H,18,19,20).
What are the key properties of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine?
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 3059133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).