N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

C16H28N4 — CID 83189393

IUPACN-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CC(C)CCC2C)ncc1CNC(C)C
InChIInChI=1S/C16H28N4/c1-11(2)17-8-15-9-18-16(19-14(15)5)20-10-12(3)6-7-13(20)4/h9,11-13,17H,6-8,10H2,1-5H3
InChIKeyLPLBGOBVFHIUHV-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.91
Rot. Bonds4

About N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83189393) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83189393
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CC(C)CCC2C)ncc1CNC(C)C
InChIInChI=1S/C16H28N4/c1-11(2)17-8-15-9-18-16(19-14(15)5)20-10-12(3)6-7-13(20)4/h9,11-13,17H,6-8,10H2,1-5H3
InChIKeyLPLBGOBVFHIUHV-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 20745808
2-(propan-2-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 22308430
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-4-amine
CID 50988376
2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
N'-(1-{2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl}ethyl)-N-ethyl-N-methylsulfamide
CID 72904887
N-{[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl}-4-methylpyrimidin-2-amine
CID 72912703
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;hydrochloride
CID 73354999
4-[1-(Cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine
CID 73440387
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
2-(Piperazin-1-yl)-4-(propan-2-yl)pyrimidine
CID 58990463
5-(1-Aminoethyl)-4-methylpyrimidin-2-amine
CID 43810924

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (CID 83189393) is N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(N2CC(C)CCC2C)ncc1CNC(C)C.
What is the InChIKey of N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is LPLBGOBVFHIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-11(2)17-8-15-9-18-16(19-14(15)5)20-10-12(3)6-7-13(20)4/h9,11-13,17H,6-8,10H2,1-5H3.
What are the key properties of N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83189393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).