N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C15H26N4 — CID 112863983

IUPACN-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC(C)CCNc1cc(N2CCCC(C)C2)ncn1
InChIInChI=1S/C15H26N4/c1-12(2)6-7-16-14-9-15(18-11-17-14)19-8-4-5-13(3)10-19/h9,11-13H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyBJNYOIUNZGHZFX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.17
Rot. Bonds5

About N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112863983) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112863983
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC(C)CCNc1cc(N2CCCC(C)C2)ncn1
InChIInChI=1S/C15H26N4/c1-12(2)6-7-16-14-9-15(18-11-17-14)19-8-4-5-13(3)10-19/h9,11-13H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyBJNYOIUNZGHZFX-UHFFFAOYSA-N
XLogP3.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-6-(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-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109354186
tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate
CID 133299291
N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863365
N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133459927
N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133324617
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112864416
6-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340461
2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 133343974

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112863983) is N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CC(C)CCNc1cc(N2CCCC(C)C2)ncn1.
What is the InChIKey of N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is BJNYOIUNZGHZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)6-7-16-14-9-15(18-11-17-14)19-8-4-5-13(3)10-19/h9,11-13H,4-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112863983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).