2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol

C13H22N4O2 — CID 146132286

IUPAC2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
SMILESCOc1cc(C)nc(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-11-10-12(19-2)15-13(14-11)17-5-3-4-16(6-7-17)8-9-18/h10,18H,3-9H2,1-2H3
InChIKeyNEBSXLHMXZRXGD-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.30
Rot. Bonds4

About 2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol

2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol (PubChem CID 146132286) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
PubChem CID146132286
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
SMILESCOc1cc(C)nc(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-11-10-12(19-2)15-13(14-11)17-5-3-4-16(6-7-17)8-9-18/h10,18H,3-9H2,1-2H3
InChIKeyNEBSXLHMXZRXGD-UHFFFAOYSA-N
XLogP0.30
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol (CID 146132286) is 2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol is COc1cc(C)nc(N2CCCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is NEBSXLHMXZRXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11-10-12(19-2)15-13(14-11)17-5-3-4-16(6-7-17)8-9-18/h10,18H,3-9H2,1-2H3.
What are the key properties of 2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol?
2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 266.34 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 146132286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).