N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

C18H24N4 — CID 133297567

IUPACN-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1ccc(CNc2cc(N3CCCCC3)ncn2)c(C)c1
InChIInChI=1S/C18H24N4/c1-14-6-7-16(15(2)10-14)12-19-17-11-18(21-13-20-17)22-8-4-3-5-9-22/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,19,20,21)
InChIKeyZLJALGGCNMARGQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.70
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133297567) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133297567
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1ccc(CNc2cc(N3CCCCC3)ncn2)c(C)c1
InChIInChI=1S/C18H24N4/c1-14-6-7-16(15(2)10-14)12-19-17-11-18(21-13-20-17)22-8-4-3-5-9-22/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,19,20,21)
InChIKeyZLJALGGCNMARGQ-UHFFFAOYSA-N
XLogP3.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689488
2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
CID 133448199
6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858906
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858912
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133300034
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 133297567) is N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is Cc1ccc(CNc2cc(N3CCCCC3)ncn2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is ZLJALGGCNMARGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-6-7-16(15(2)10-14)12-19-17-11-18(21-13-20-17)22-8-4-3-5-9-22/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133297567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).