N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C14H24N4 — CID 112883550

IUPACN-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC(C)Nc1ccnc(N2CCCC(C)C2)n1
InChIInChI=1S/C14H24N4/c1-4-12(3)16-13-7-8-15-14(17-13)18-9-5-6-11(2)10-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyJXTSHLLEWVFCGB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds4

About N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112883550) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112883550
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC(C)Nc1ccnc(N2CCCC(C)C2)n1
InChIInChI=1S/C14H24N4/c1-4-12(3)16-13-7-8-15-14(17-13)18-9-5-6-11(2)10-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyJXTSHLLEWVFCGB-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-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-butan-2-yl-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940732
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 66903521
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112891407
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112901130
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112896931
2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112901131
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112883531
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine
CID 167269911

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112883550) is N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CCC(C)Nc1ccnc(N2CCCC(C)C2)n1.
What is the InChIKey of N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is JXTSHLLEWVFCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-12(3)16-13-7-8-15-14(17-13)18-9-5-6-11(2)10-18/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,15,16,17).
What are the key properties of N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112883550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).