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

C15H26N4O — CID 116640740

IUPAC[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol
SMILESCCNc1nc(C)nc(N2CCCCCC2CO)c1C
InChIInChI=1S/C15H26N4O/c1-4-16-14-11(2)15(18-12(3)17-14)19-9-7-5-6-8-13(19)10-20/h13,20H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyMLAGZAXQXMNVMR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.27
Rot. Bonds4

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

[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol (PubChem CID 116640740) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol
PubChem CID116640740
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol
SMILESCCNc1nc(C)nc(N2CCCCCC2CO)c1C
InChIInChI=1S/C15H26N4O/c1-4-16-14-11(2)15(18-12(3)17-14)19-9-7-5-6-8-13(19)10-20/h13,20H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyMLAGZAXQXMNVMR-UHFFFAOYSA-N
XLogP2.27
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
[1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80987896
[1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol
CID 116640640
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80824999
[6-(2-ethylazepan-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 113442067
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80805785
[1-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640785
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629574
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
CID 80764591
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80995818

Frequently Asked Questions

What is the IUPAC name of [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol?
The IUPAC name of [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol (CID 116640740) is [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol?
The canonical SMILES for [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol is CCNc1nc(C)nc(N2CCCCCC2CO)c1C.
What is the InChIKey of [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol?
The InChIKey is MLAGZAXQXMNVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-16-14-11(2)15(18-12(3)17-14)19-9-7-5-6-8-13(19)10-20/h13,20H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol?
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]azepan-2-yl]methanol is sourced from PubChem (CID 116640740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).