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

C16H27N3O — CID 116731787

IUPACN-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOC1(c2nc(C)c(CNCC(C)C)c(C)n2)CCC1
InChIInChI=1S/C16H27N3O/c1-11(2)9-17-10-14-12(3)18-15(19-13(14)4)16(20-5)7-6-8-16/h11,17H,6-10H2,1-5H3
InChIKeyAWWJSSNYKYGRLP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds6

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

N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 116731787) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID116731787
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOC1(c2nc(C)c(CNCC(C)C)c(C)n2)CCC1
InChIInChI=1S/C16H27N3O/c1-11(2)9-17-10-14-12(3)18-15(19-13(14)4)16(20-5)7-6-8-16/h11,17H,6-10H2,1-5H3
InChIKeyAWWJSSNYKYGRLP-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-methoxycyclobutyl)-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

N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 104611902
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 104611901
N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 104611897
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104611824
N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 116731657
N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116778841
N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 116731669
(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431417
1-[2-(1-methoxy-4-methylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 116779383
3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
CID 104611568
2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136965435

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 116731787) is N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine is COC1(c2nc(C)c(CNCC(C)C)c(C)n2)CCC1.
What is the InChIKey of N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is AWWJSSNYKYGRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)9-17-10-14-12(3)18-15(19-13(14)4)16(20-5)7-6-8-16/h11,17H,6-10H2,1-5H3.
What are the key properties of N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116731787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).