[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol

C12H19N3O2 — CID 83184895

IUPAC[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol
SMILESCc1nc(N2CCCOC(C)C2)ncc1CO
InChIInChI=1S/C12H19N3O2/c1-9-7-15(4-3-5-17-9)12-13-6-11(8-16)10(2)14-12/h6,9,16H,3-5,7-8H2,1-2H3
InChIKeyAIDKTQVLCLWNIN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.89
Rot. Bonds2

About [4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol

[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol (PubChem CID 83184895) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol
PubChem CID83184895
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol
SMILESCc1nc(N2CCCOC(C)C2)ncc1CO
InChIInChI=1S/C12H19N3O2/c1-9-7-15(4-3-5-17-9)12-13-6-11(8-16)10(2)14-12/h6,9,16H,3-5,7-8H2,1-2H3
InChIKeyAIDKTQVLCLWNIN-UHFFFAOYSA-N
XLogP0.89
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol (CID 83184895) is [4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol is Cc1nc(N2CCCOC(C)C2)ncc1CO.
What is the InChIKey of [4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol?
The InChIKey is AIDKTQVLCLWNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-15(4-3-5-17-9)12-13-6-11(8-16)10(2)14-12/h6,9,16H,3-5,7-8H2,1-2H3.
What are the key properties of [4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol?
[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol has a molecular weight of 237.30 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 83184895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).