4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine

C20H28N4 — CID 78899337

IUPAC4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2ccccc2CN2CCC(C)CC2)n1
InChIInChI=1S/C20H28N4/c1-15-8-10-24(11-9-15)14-19-7-5-4-6-18(19)13-21-20-22-16(2)12-17(3)23-20/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,21,22,23)
InChIKeyMMHNJJWOOJGCAH-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.94
Rot. Bonds5

About 4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine

4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine (PubChem CID 78899337) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine
PubChem CID78899337
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2ccccc2CN2CCC(C)CC2)n1
InChIInChI=1S/C20H28N4/c1-15-8-10-24(11-9-15)14-19-7-5-4-6-18(19)13-21-20-22-16(2)12-17(3)23-20/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,21,22,23)
InChIKeyMMHNJJWOOJGCAH-UHFFFAOYSA-N
XLogP3.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910692
2-amino-2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 119845143
1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326361
2-methyl-1-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110915687
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
6-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274788
2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 120669594
1-tert-butyl-2-methyl-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110967390
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910881
4-bromo-5-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885338

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine (CID 78899337) is 4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine is Cc1cc(C)nc(NCc2ccccc2CN2CCC(C)CC2)n1.
What is the InChIKey of 4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine?
The InChIKey is MMHNJJWOOJGCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-15-8-10-24(11-9-15)14-19-7-5-4-6-18(19)13-21-20-22-16(2)12-17(3)23-20/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,21,22,23).
What are the key properties of 4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine has a molecular weight of 324.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 78899337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).