(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride

C18H27ClN4O2 — CID 154901311

IUPAC(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride
SMILESCl.O=C(c1cnc(C2CC2)nc1)N1CCC2(CCNCC2CO)CC1
InChIInChI=1S/C18H26N4O2.ClH/c23-12-15-11-19-6-3-18(15)4-7-22(8-5-18)17(24)14-9-20-16(21-10-14)13-1-2-13;/h9-10,13,15,19,23H,1-8,11-12H2;1H
InChIKeyTZOYVZFEQVOGLH-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.60
Rot. Bonds3

About (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride

(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride (PubChem CID 154901311) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride
PubChem CID154901311
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride
SMILESCl.O=C(c1cnc(C2CC2)nc1)N1CCC2(CCNCC2CO)CC1
InChIInChI=1S/C18H26N4O2.ClH/c23-12-15-11-19-6-3-18(15)4-7-22(8-5-18)17(24)14-9-20-16(21-10-14)13-1-2-13;/h9-10,13,15,19,23H,1-8,11-12H2;1H
InChIKeyTZOYVZFEQVOGLH-UHFFFAOYSA-N
XLogP1.60
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride
CID 154901230
2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride
CID 71743311
[4-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-hydroxyazepan-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
CID 155991377
(2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone
CID 132764912
(2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
CID 96572285
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
(2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 135101723
(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95509697
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124978298
2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid
CID 167887560
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
[2-(cyclopropylamino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109247511

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride (CID 154901311) is (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride is Cl.O=C(c1cnc(C2CC2)nc1)N1CCC2(CCNCC2CO)CC1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride?
The InChIKey is TZOYVZFEQVOGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c23-12-15-11-19-6-3-18(15)4-7-22(8-5-18)17(24)14-9-20-16(21-10-14)13-1-2-13;/h9-10,13,15,19,23H,1-8,11-12H2;1H.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride?
(2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;hydrochloride is sourced from PubChem (CID 154901311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).