1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol

C13H22N4O — CID 72838612

IUPAC1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCCc1cnc(N)nc1N1CCCC(C)(O)CC1
InChIInChI=1S/C13H22N4O/c1-3-10-9-15-12(14)16-11(10)17-7-4-5-13(2,18)6-8-17/h9,18H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyIEXVQPPCTIFFTI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds2

About 1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol

1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol (PubChem CID 72838612) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol
PubChem CID72838612
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCCc1cnc(N)nc1N1CCCC(C)(O)CC1
InChIInChI=1S/C13H22N4O/c1-3-10-9-15-12(14)16-11(10)17-7-4-5-13(2,18)6-8-17/h9,18H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyIEXVQPPCTIFFTI-UHFFFAOYSA-N
XLogP1.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 72879539
5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine
CID 72890235
5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 72856835
1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
CID 114044014
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409073
4-(4,4-dimethylazepan-1-yl)-5-fluoropyrimidin-2-amine
CID 80842364
1-(3-amino-1,2,4-thiadiazol-5-yl)-4-methylazepan-4-ol
CID 107408949
1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol
CID 107403606
ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate
CID 107407274
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409100
(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 155506874

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol (CID 72838612) is 1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol is CCc1cnc(N)nc1N1CCCC(C)(O)CC1.
What is the InChIKey of 1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol?
The InChIKey is IEXVQPPCTIFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-10-9-15-12(14)16-11(10)17-7-4-5-13(2,18)6-8-17/h9,18H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol?
1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol has a molecular weight of 250.35 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 72838612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).