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

C11H17ClN4O — CID 114044014

IUPAC1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2nc(Cl)ncc2N)CC1
InChIInChI=1S/C11H17ClN4O/c1-11(17)3-2-5-16(6-4-11)9-8(13)7-14-10(12)15-9/h7,17H,2-6,13H2,1H3
InChIKeyFYDXTIUTTZAJOK-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.45
Rot. Bonds1

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

1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol (PubChem CID 114044014) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
PubChem CID114044014
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2nc(Cl)ncc2N)CC1
InChIInChI=1S/C11H17ClN4O/c1-11(17)3-2-5-16(6-4-11)9-8(13)7-14-10(12)15-9/h7,17H,2-6,13H2,1H3
InChIKeyFYDXTIUTTZAJOK-UHFFFAOYSA-N
XLogP1.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107405881
2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine
CID 114043901
2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine
CID 114043660
1-(2,5-dichloropyrimidin-4-yl)-4,4-dimethylazepane
CID 79633042
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol
CID 107405815
1-(3-bromo-5-chloro-2-pyridinyl)-4-methylazepan-4-ol
CID 107407312
1-(5-bromo-2-chloropyrimidin-4-yl)-4,4-dimethylazepane
CID 79072527
1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 72838612
1-(5-chloro-2-methoxypyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407533
1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409100
1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 18801422
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol (CID 114044014) is 1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol is CC1(O)CCCN(c2nc(Cl)ncc2N)CC1.
What is the InChIKey of 1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol?
The InChIKey is FYDXTIUTTZAJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-11(17)3-2-5-16(6-4-11)9-8(13)7-14-10(12)15-9/h7,17H,2-6,13H2,1H3.
What are the key properties of 1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol?
1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol has a molecular weight of 256.74 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 114044014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).