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

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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).