2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C18H24N4 — CID 112876539

IUPAC2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cccc(Nc2cc(N3CCCC(C)C3)nc(C)n2)c1
InChIInChI=1S/C18H24N4/c1-13-6-4-8-16(10-13)21-17-11-18(20-15(3)19-17)22-9-5-7-14(2)12-22/h4,6,8,10-11,14H,5,7,9,12H2,1-3H3,(H,19,20,21)
InChIKeyCOSOADDVGDBSND-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.07
Rot. Bonds3

About 2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112876539) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112876539
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cccc(Nc2cc(N3CCCC(C)C3)nc(C)n2)c1
InChIInChI=1S/C18H24N4/c1-13-6-4-8-16(10-13)21-17-11-18(20-15(3)19-17)22-9-5-7-14(2)12-22/h4,6,8,10-11,14H,5,7,9,12H2,1-3H3,(H,19,20,21)
InChIKeyCOSOADDVGDBSND-UHFFFAOYSA-N
XLogP4.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876634
N-(2-bromophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876605
2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 112876602
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine
CID 99987500
N-(2-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876573
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
(3S)-1-[6-(3-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975943
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053
(3R)-1-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975862
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112876539) is 2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1cccc(Nc2cc(N3CCCC(C)C3)nc(C)n2)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is COSOADDVGDBSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-6-4-8-16(10-13)21-17-11-18(20-15(3)19-17)22-9-5-7-14(2)12-22/h4,6,8,10-11,14H,5,7,9,12H2,1-3H3,(H,19,20,21).
What are the key properties of 2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112876539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).