3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

C17H25N5O2 — CID 124906922

IUPAC3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCn1ccnc1[C@H]1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1
InChIInChI=1S/C17H25N5O2/c1-3-21-8-6-18-16(21)14-5-4-7-20(12-14)9-10-22-15(23)11-13(2)19-17(22)24/h6,8,11,14H,3-5,7,9-10,12H2,1-2H3,(H,19,24)/t14-/m0/s1
InChIKeyXVNRYGXCLFXPBJ-AWEZNQCLSA-N
MW331.42 g/mol
LogP0.94
Rot. Bonds5

About 3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 124906922) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID124906922
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCn1ccnc1[C@H]1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1
InChIInChI=1S/C17H25N5O2/c1-3-21-8-6-18-16(21)14-5-4-7-20(12-14)9-10-22-15(23)11-13(2)19-17(22)24/h6,8,11,14H,3-5,7,9-10,12H2,1-2H3,(H,19,24)/t14-/m0/s1
InChIKeyXVNRYGXCLFXPBJ-AWEZNQCLSA-N
XLogP0.94
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 91829573
N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide
CID 124907006
N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide
CID 91832966
6-methyl-3-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 91836009
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988
(3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine
CID 97134256
3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 124906909
4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 72900256
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 72844026
3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 70722751
3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 91832572
4-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pyridine
CID 97153303

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 124906922) is 3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is CCn1ccnc1[C@H]1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1.
What is the InChIKey of 3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is XVNRYGXCLFXPBJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-21-8-6-18-16(21)14-5-4-7-20(12-14)9-10-22-15(23)11-13(2)19-17(22)24/h6,8,11,14H,3-5,7,9-10,12H2,1-2H3,(H,19,24)/t14-/m0/s1.
What are the key properties of 3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 331.42 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 124906922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).