6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine

C18H24N4 — CID 171998278

IUPAC6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCc1ccc(CN2CCCC(Nc3cc(C)ncn3)C2)cc1
InChIInChI=1S/C18H24N4/c1-14-5-7-16(8-6-14)11-22-9-3-4-17(12-22)21-18-10-15(2)19-13-20-18/h5-8,10,13,17H,3-4,9,11-12H2,1-2H3,(H,19,20,21)
InChIKeyHARVUAPSCNIAJX-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.17
Rot. Bonds4

About 6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine

6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine (PubChem CID 171998278) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
PubChem CID171998278
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCc1ccc(CN2CCCC(Nc3cc(C)ncn3)C2)cc1
InChIInChI=1S/C18H24N4/c1-14-5-7-16(8-6-14)11-22-9-3-4-17(12-22)21-18-10-15(2)19-13-20-18/h5-8,10,13,17H,3-4,9,11-12H2,1-2H3,(H,19,20,21)
InChIKeyHARVUAPSCNIAJX-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998279
N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 171996910
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881008
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171996026
N-[1-(2,2-dimethylpropyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994731
6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998734
6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995148
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171998529
6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171996018
6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 95140355
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171995771
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine (CID 171998278) is 6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine is Cc1ccc(CN2CCCC(Nc3cc(C)ncn3)C2)cc1.
What is the InChIKey of 6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is HARVUAPSCNIAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-5-7-16(8-6-14)11-22-9-3-4-17(12-22)21-18-10-15(2)19-13-20-18/h5-8,10,13,17H,3-4,9,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of 6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171998278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).