[1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C19H28N6O2 — CID 133395858

IUPAC[1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(c2cc(N3CCCC3CO)ncn2)CC1
InChIInChI=1S/C19H28N6O2/c1-23-10-6-20-19(23)18(27)14-4-8-24(9-5-14)16-11-17(22-13-21-16)25-7-2-3-15(25)12-26/h6,10-11,13-15,18,26-27H,2-5,7-9,12H2,1H3
InChIKeyXZAVEHQPJRNLMC-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.12
Rot. Bonds5

About [1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 133395858) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID133395858
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name[1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(c2cc(N3CCCC3CO)ncn2)CC1
InChIInChI=1S/C19H28N6O2/c1-23-10-6-20-19(23)18(27)14-4-8-24(9-5-14)16-11-17(22-13-21-16)25-7-2-3-15(25)12-26/h6,10-11,13-15,18,26-27H,2-5,7-9,12H2,1H3
InChIKeyXZAVEHQPJRNLMC-UHFFFAOYSA-N
XLogP1.12
TPSA90.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(1-methylimidazol-2-yl)-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133384388
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CID 95763979
[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133300212
[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763994
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133432045
1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one
CID 95764100
[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100838350
4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 95763946
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
[1-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133479701
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926

Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 133395858) is [1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CCN(c2cc(N3CCCC3CO)ncn2)CC1.
What is the InChIKey of [1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is XZAVEHQPJRNLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-23-10-6-20-19(23)18(27)14-4-8-24(9-5-14)16-11-17(22-13-21-16)25-7-2-3-15(25)12-26/h6,10-11,13-15,18,26-27H,2-5,7-9,12H2,1H3.
What are the key properties of [1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 372.47 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 133395858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).