[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol

C11H18N4O — CID 116797534

IUPAC[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
SMILESNc1ccnc(N2CCCCCC2CO)n1
InChIInChI=1S/C11H18N4O/c12-10-5-6-13-11(14-10)15-7-3-1-2-4-9(15)8-16/h5-6,9,16H,1-4,7-8H2,(H2,12,13,14)
InChIKeyWKXJVNWUPGCNRE-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.80
Rot. Bonds2

About [1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol

[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol (PubChem CID 116797534) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
PubChem CID116797534
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
SMILESNc1ccnc(N2CCCCCC2CO)n1
InChIInChI=1S/C11H18N4O/c12-10-5-6-13-11(14-10)15-7-3-1-2-4-9(15)8-16/h5-6,9,16H,1-4,7-8H2,(H2,12,13,14)
InChIKeyWKXJVNWUPGCNRE-UHFFFAOYSA-N
XLogP0.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 167808639
[(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 86329335
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796481
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708
[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279135
[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640714
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
[1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]methanol
CID 80794266
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
[1-(3-amino-2-pyridinyl)piperidin-2-yl]methanol
CID 61406906

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol (CID 116797534) is [1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol is Nc1ccnc(N2CCCCCC2CO)n1.
What is the InChIKey of [1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol?
The InChIKey is WKXJVNWUPGCNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-10-5-6-13-11(14-10)15-7-3-1-2-4-9(15)8-16/h5-6,9,16H,1-4,7-8H2,(H2,12,13,14).
What are the key properties of [1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol?
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol has a molecular weight of 222.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol is sourced from PubChem (CID 116797534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).