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

C10H15BrN4O — CID 116796883

IUPAC6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
SMILESCC1CN(c2nc(N)cc(Br)n2)CCCO1
InChIInChI=1S/C10H15BrN4O/c1-7-6-15(3-2-4-16-7)10-13-8(11)5-9(12)14-10/h5,7H,2-4,6H2,1H3,(H2,12,13,14)
InChIKeyVFBJGYJTPAQRDR-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.44
Rot. Bonds1

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

6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine (PubChem CID 116796883) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
PubChem CID116796883
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
SMILESCC1CN(c2nc(N)cc(Br)n2)CCCO1
InChIInChI=1S/C10H15BrN4O/c1-7-6-15(3-2-4-16-7)10-13-8(11)5-9(12)14-10/h5,7H,2-4,6H2,1H3,(H2,12,13,14)
InChIKeyVFBJGYJTPAQRDR-UHFFFAOYSA-N
XLogP1.44
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80824389
6-bromo-2-(2,5-dimethylmorpholin-4-yl)pyrimidin-4-amine
CID 116796451
6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine
CID 80653054
6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 78929987
6-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 116797018
4-(2-methylmorpholin-4-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80763914
4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 62967640
6-bromo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 116796173
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 105367904
5-chloro-2-(2-methyl-1,4-oxazepan-4-yl)aniline
CID 62987436
2-methyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764461
6-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 116796465

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine (CID 116796883) is 6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine is CC1CN(c2nc(N)cc(Br)n2)CCCO1.
What is the InChIKey of 6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
The InChIKey is VFBJGYJTPAQRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-7-6-15(3-2-4-16-7)10-13-8(11)5-9(12)14-10/h5,7H,2-4,6H2,1H3,(H2,12,13,14).
What are the key properties of 6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine has a molecular weight of 287.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 116796883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).