1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol

C17H28N4O — CID 154754238

IUPAC1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol
SMILESOC(CC1CCCC1)CN1CCCN(c2ncccn2)CC1
InChIInChI=1S/C17H28N4O/c22-16(13-15-5-1-2-6-15)14-20-9-4-10-21(12-11-20)17-18-7-3-8-19-17/h3,7-8,15-16,22H,1-2,4-6,9-14H2
InChIKeyYDYAUZBZWHVNQQ-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.93
Rot. Bonds5

About 1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol

1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol (PubChem CID 154754238) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol
PubChem CID154754238
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol
SMILESOC(CC1CCCC1)CN1CCCN(c2ncccn2)CC1
InChIInChI=1S/C17H28N4O/c22-16(13-15-5-1-2-6-15)14-20-9-4-10-21(12-11-20)17-18-7-3-8-19-17/h3,7-8,15-16,22H,1-2,4-6,9-14H2
InChIKeyYDYAUZBZWHVNQQ-UHFFFAOYSA-N
XLogP1.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 104752458
(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 12052820
1-bromo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 112561188
1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 104744506
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-(4-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 4041027
1-(4-ethoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 51160406
1-[(1-ethylpiperidin-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 77087702
(2S)-1-cyclopentyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-2-ol
CID 164636154
1-(4-phenoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 42909864
1-(3-cyclopentyl-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 103159267
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol (CID 154754238) is 1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol is OC(CC1CCCC1)CN1CCCN(c2ncccn2)CC1.
What is the InChIKey of 1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol?
The InChIKey is YDYAUZBZWHVNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c22-16(13-15-5-1-2-6-15)14-20-9-4-10-21(12-11-20)17-18-7-3-8-19-17/h3,7-8,15-16,22H,1-2,4-6,9-14H2.
What are the key properties of 1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol?
1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol has a molecular weight of 304.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol is sourced from PubChem (CID 154754238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).