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

C13H23N5O — CID 116640645

IUPAC[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
SMILESCCNc1cc(N2CCCCCC2CO)nc(N)n1
InChIInChI=1S/C13H23N5O/c1-2-15-11-8-12(17-13(14)16-11)18-7-5-3-4-6-10(18)9-19/h8,10,19H,2-7,9H2,1H3,(H3,14,15,16,17)
InChIKeyAYNYDNWHQWJQRC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.23
Rot. Bonds4

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

[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol (PubChem CID 116640645) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
PubChem CID116640645
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
SMILESCCNc1cc(N2CCCCCC2CO)nc(N)n1
InChIInChI=1S/C13H23N5O/c1-2-15-11-8-12(17-13(14)16-11)18-7-5-3-4-6-10(18)9-19/h8,10,19H,2-7,9H2,1H3,(H3,14,15,16,17)
InChIKeyAYNYDNWHQWJQRC-UHFFFAOYSA-N
XLogP1.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80767376
[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640655
[(2R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 122491334
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806613
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
2-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80927450
4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83057547
[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794344
N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 104693100
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

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol?
The IUPAC name of [1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol (CID 116640645) is [1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol?
The canonical SMILES for [1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol is CCNc1cc(N2CCCCCC2CO)nc(N)n1.
What is the InChIKey of [1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol?
The InChIKey is AYNYDNWHQWJQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-15-11-8-12(17-13(14)16-11)18-7-5-3-4-6-10(18)9-19/h8,10,19H,2-7,9H2,1H3,(H3,14,15,16,17).
What are the key properties of [1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol?
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol has a molecular weight of 265.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol is sourced from PubChem (CID 116640645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).