[9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol

C21H32N6O — CID 74243254

IUPAC[9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol
SMILESCCc1ncc(CN2CCC3(CC2)CCN(Cc2ncc[nH]2)CC3CO)cn1
InChIInChI=1S/C21H32N6O/c1-2-19-24-11-17(12-25-19)13-26-8-3-21(4-9-26)5-10-27(14-18(21)16-28)15-20-22-6-7-23-20/h6-7,11-12,18,28H,2-5,8-10,13-16H2,1H3,(H,22,23)
InChIKeyOQNZOLHSQXUPDS-UHFFFAOYSA-N
MW384.53 g/mol
LogP1.86
Rot. Bonds6

About [9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol

[9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol (PubChem CID 74243254) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is [9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol.

Molecular Properties

Compound Name[9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol
PubChem CID74243254
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name[9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol
SMILESCCc1ncc(CN2CCC3(CC2)CCN(Cc2ncc[nH]2)CC3CO)cn1
InChIInChI=1S/C21H32N6O/c1-2-19-24-11-17(12-25-19)13-26-8-3-21(4-9-26)5-10-27(14-18(21)16-28)15-20-22-6-7-23-20/h6-7,11-12,18,28H,2-5,8-10,13-16H2,1H3,(H,22,23)
InChIKeyOQNZOLHSQXUPDS-UHFFFAOYSA-N
XLogP1.86
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The IUPAC name of [9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol (CID 74243254) is [9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol.
What is the SMILES notation for [9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The canonical SMILES for [9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol is CCc1ncc(CN2CCC3(CC2)CCN(Cc2ncc[nH]2)CC3CO)cn1.
What is the InChIKey of [9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The InChIKey is OQNZOLHSQXUPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-2-19-24-11-17(12-25-19)13-26-8-3-21(4-9-26)5-10-27(14-18(21)16-28)15-20-22-6-7-23-20/h6-7,11-12,18,28H,2-5,8-10,13-16H2,1H3,(H,22,23).
What are the key properties of [9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
[9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol has a molecular weight of 384.53 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(2-ethylpyrimidin-5-yl)methyl]-3-(1H-imidazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol is sourced from PubChem (CID 74243254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).