N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine

C17H30N4 — CID 62746715

IUPACN-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(N2CCCCCC2)nc(C)c1CNCC(C)C
InChIInChI=1S/C17H30N4/c1-13(2)11-18-12-16-14(3)19-17(20-15(16)4)21-9-7-5-6-8-10-21/h13,18H,5-12H2,1-4H3
InChIKeyOAXBTHALSVPFDT-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.22
Rot. Bonds5

About N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62746715) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62746715
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(N2CCCCCC2)nc(C)c1CNCC(C)C
InChIInChI=1S/C17H30N4/c1-13(2)11-18-12-16-14(3)19-17(20-15(16)4)21-9-7-5-6-8-10-21/h13,18H,5-12H2,1-4H3
InChIKeyOAXBTHALSVPFDT-UHFFFAOYSA-N
XLogP3.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-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

1-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62745478
N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 62746380
3-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65293619
N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 62746709
(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanamine;hydrochloride
CID 82021870
3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 55113725
N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 55113870
5-ethyl-N,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190547
N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116731787
3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745440
N-[[4-(azepan-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63061231
N-[[2-(azepan-1-yl)-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63566563

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 62746715) is N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine is Cc1nc(N2CCCCCC2)nc(C)c1CNCC(C)C.
What is the InChIKey of N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is OAXBTHALSVPFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-13(2)11-18-12-16-14(3)19-17(20-15(16)4)21-9-7-5-6-8-10-21/h13,18H,5-12H2,1-4H3.
What are the key properties of N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 290.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62746715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).