4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane

C13H21N3O3 — CID 146127392

IUPAC4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane
SMILESCOCc1nc(OC)cc(N2CCCOC(C)C2)n1
InChIInChI=1S/C13H21N3O3/c1-10-8-16(5-4-6-19-10)12-7-13(18-3)15-11(14-12)9-17-2/h7,10H,4-6,8-9H2,1-3H3
InChIKeyQVTYBKRGENVQGR-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.25
Rot. Bonds4

About 4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane

4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane (PubChem CID 146127392) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane.

Molecular Properties

Compound Name4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane
PubChem CID146127392
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane
SMILESCOCc1nc(OC)cc(N2CCCOC(C)C2)n1
InChIInChI=1S/C13H21N3O3/c1-10-8-16(5-4-6-19-10)12-7-13(18-3)15-11(14-12)9-17-2/h7,10H,4-6,8-9H2,1-3H3
InChIKeyQVTYBKRGENVQGR-UHFFFAOYSA-N
XLogP1.25
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methoxymethyl)-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 113401273
2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 113401270
[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine
CID 113379380
6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 78929987
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957833
4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2-methyl-1,4-oxazepane
CID 113380721
2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine
CID 126822851
3-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 139012486
1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol
CID 113401369
(1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CID 98204954
6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine
CID 80653054
4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 62967987

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane?
The IUPAC name of 4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane (CID 146127392) is 4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane.
What is the SMILES notation for 4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane?
The canonical SMILES for 4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane is COCc1nc(OC)cc(N2CCCOC(C)C2)n1.
What is the InChIKey of 4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane?
The InChIKey is QVTYBKRGENVQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-8-16(5-4-6-19-10)12-7-13(18-3)15-11(14-12)9-17-2/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane?
4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane has a molecular weight of 267.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-2-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-oxazepane is sourced from PubChem (CID 146127392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).