4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one

C17H25N5O2 — CID 136883234

IUPAC4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-3-13-10-15(23)20-14(19-13)11-22-7-4-12(5-8-22)16(24)17-18-6-9-21(17)2/h6,9-10,12,16,24H,3-5,7-8,11H2,1-2H3,(H,19,20,23)
InChIKeyDFAVWNYDNONASN-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.01
Rot. Bonds5

About 4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one

4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one (PubChem CID 136883234) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one
PubChem CID136883234
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-3-13-10-15(23)20-14(19-13)11-22-7-4-12(5-8-22)16(24)17-18-6-9-21(17)2/h6,9-10,12,16,24H,3-5,7-8,11H2,1-2H3,(H,19,20,23)
InChIKeyDFAVWNYDNONASN-UHFFFAOYSA-N
XLogP1.01
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 45236943
6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 99928460
(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643
3-chloro-5-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]phenol
CID 136568437
[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 171909909
(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124516622
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide
CID 136667317
(S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97092049
[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 77078802

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one (CID 136883234) is 4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(CN2CCC(C(O)c3nccn3C)CC2)n1.
What is the InChIKey of 4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one?
The InChIKey is DFAVWNYDNONASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-13-10-15(23)20-14(19-13)11-22-7-4-12(5-8-22)16(24)17-18-6-9-21(17)2/h6,9-10,12,16,24H,3-5,7-8,11H2,1-2H3,(H,19,20,23).
What are the key properties of 4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one?
4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one has a molecular weight of 331.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136883234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).