6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine

C10H16N4O — CID 78929987

IUPAC6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
SMILESCC1CN(c2cc(N)ncn2)CCCO1
InChIInChI=1S/C10H16N4O/c1-8-6-14(3-2-4-15-8)10-5-9(11)12-7-13-10/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13)
InChIKeyIWGJNOZUHHQEAD-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.67
Rot. Bonds1

About 6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine

6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine (PubChem CID 78929987) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
PubChem CID78929987
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
SMILESCC1CN(c2cc(N)ncn2)CCCO1
InChIInChI=1S/C10H16N4O/c1-8-6-14(3-2-4-15-8)10-5-9(11)12-7-13-10/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13)
InChIKeyIWGJNOZUHHQEAD-UHFFFAOYSA-N
XLogP0.67
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-methyl-1,4-oxazepan-4-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

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine (CID 78929987) is 6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine is CC1CN(c2cc(N)ncn2)CCCO1.
What is the InChIKey of 6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
The InChIKey is IWGJNOZUHHQEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-6-14(3-2-4-15-8)10-5-9(11)12-7-13-10/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13).
What are the key properties of 6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine has a molecular weight of 208.26 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 78929987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).