[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol

C15H26N4O2 — CID 116640655

IUPAC[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
SMILESCCNc1cc(N2CCCCCC2CO)nc(COC)n1
InChIInChI=1S/C15H26N4O2/c1-3-16-13-9-15(18-14(17-13)11-21-2)19-8-6-4-5-7-12(19)10-20/h9,12,20H,3-8,10-11H2,1-2H3,(H,16,17,18)
InChIKeyOPDXEIPMAXUZPF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.80
Rot. Bonds6

About [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol

[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol (PubChem CID 116640655) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
PubChem CID116640655
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
SMILESCCNc1cc(N2CCCCCC2CO)nc(COC)n1
InChIInChI=1S/C15H26N4O2/c1-3-16-13-9-15(18-14(17-13)11-21-2)19-8-6-4-5-7-12(19)10-20/h9,12,20H,3-8,10-11H2,1-2H3,(H,16,17,18)
InChIKeyOPDXEIPMAXUZPF-UHFFFAOYSA-N
XLogP1.80
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 104693100
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674447
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683910
2-[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80767376
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971298
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine
CID 80934977
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80766985
[1-[6-(ethylamino)pyrazin-2-yl]pyrrolidin-2-yl]methanol
CID 79033971
[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol
CID 116637089
[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640751

Frequently Asked Questions

What is the IUPAC name of [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol?
The IUPAC name of [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol (CID 116640655) is [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol?
The canonical SMILES for [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol is CCNc1cc(N2CCCCCC2CO)nc(COC)n1.
What is the InChIKey of [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol?
The InChIKey is OPDXEIPMAXUZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-16-13-9-15(18-14(17-13)11-21-2)19-8-6-4-5-7-12(19)10-20/h9,12,20H,3-8,10-11H2,1-2H3,(H,16,17,18).
What are the key properties of [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol?
[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol has a molecular weight of 294.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol is sourced from PubChem (CID 116640655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).