[1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol

C14H24N4O — CID 116640640

IUPAC[1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol
SMILESCCNc1ncnc(N2CCCCCC2CO)c1C
InChIInChI=1S/C14H24N4O/c1-3-15-13-11(2)14(17-10-16-13)18-8-6-4-5-7-12(18)9-19/h10,12,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyAKIFTQGGGRYJBN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds4

About [1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol

[1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol (PubChem CID 116640640) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol
PubChem CID116640640
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol
SMILESCCNc1ncnc(N2CCCCCC2CO)c1C
InChIInChI=1S/C14H24N4O/c1-3-15-13-11(2)14(17-10-16-13)18-8-6-4-5-7-12(18)9-19/h10,12,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyAKIFTQGGGRYJBN-UHFFFAOYSA-N
XLogP1.96
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol
CID 116640740
5-methyl-6-(2-methylpiperidin-1-yl)-N-propylpyrimidin-4-amine
CID 80766852
[1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80987896
6-(2-ethylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80797292
[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 103865791
N-ethyl-6-(2-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80775470
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
N-ethyl-6-(2-ethylazepan-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 104693040
[1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640681
2-[1-[6-(ethylamino)-5-nitropyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80751695
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407

Frequently Asked Questions

What is the IUPAC name of [1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol?
The IUPAC name of [1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol (CID 116640640) is [1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol?
The canonical SMILES for [1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol is CCNc1ncnc(N2CCCCCC2CO)c1C.
What is the InChIKey of [1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol?
The InChIKey is AKIFTQGGGRYJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-15-13-11(2)14(17-10-16-13)18-8-6-4-5-7-12(18)9-19/h10,12,19H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of [1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol?
[1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol is sourced from PubChem (CID 116640640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).