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

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Related Compounds

6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine
CID 80653054
6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 78929973
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
6-[3-(dimethylamino)piperidin-1-yl]pyrimidin-4-amine
CID 80856163
N-ethyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764965
6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 116796883
2-methyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764461
4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747692
1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674394
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-4-amine
CID 81470283
[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine
CID 113379380
[4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine
CID 80918713

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).