[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone

C17H23N5O2 — CID 134160740

IUPAC[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1ncnc(OCC2CCN(C(=O)c3cn(C)cn3)CC2)c1C
InChIInChI=1S/C17H23N5O2/c1-12-13(2)18-10-19-16(12)24-9-14-4-6-22(7-5-14)17(23)15-8-21(3)11-20-15/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyBFNABZTWVKGFBS-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.76
Rot. Bonds4

About [4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone

[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 134160740) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID134160740
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1ncnc(OCC2CCN(C(=O)c3cn(C)cn3)CC2)c1C
InChIInChI=1S/C17H23N5O2/c1-12-13(2)18-10-19-16(12)24-9-14-4-6-22(7-5-14)17(23)15-8-21(3)11-20-15/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyBFNABZTWVKGFBS-UHFFFAOYSA-N
XLogP1.76
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(1H-imidazol-5-yl)methanone
CID 53580493
(4-Ethoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-pyrazin-2-ylmethanone
CID 97381425
1-[2-(4-{[(5,6-Dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)ethyl]pyrrolidin-2-one
CID 134160466
4-cyclopropyl-6-{[1-(1-methyl-1H-imidazole-4-carbonyl)piperidin-4-yl]methoxy}pyrimidine
CID 134160806
(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(5-methylpyrazin-2-yl)methanone
CID 121017737
[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129356143
[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129356144
6-Ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 13669916
2-(3-methylimidazol-4-yl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-(oxan-4-ylmethoxy)pyrimidine-4-carboxamide
CID 177999855
N-[(1-ethylpiperidin-4-yl)methyl]-2-(3-methylimidazol-4-yl)-6-(oxan-4-ylmethoxy)pyrimidine-4-carboxamide
CID 177999866
2-(3-methylimidazol-4-yl)-6-(oxan-4-ylmethoxy)-N-(piperidin-4-ylmethyl)pyrimidine-4-carboxamide
CID 177999904
2-(3-methylimidazol-4-yl)-6-(oxan-4-ylmethoxy)-N-[(1-propylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide
CID 177999935

Frequently Asked Questions

What is the IUPAC name of [4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 134160740) is [4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is Cc1ncnc(OCC2CCN(C(=O)c3cn(C)cn3)CC2)c1C.
What is the InChIKey of [4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is BFNABZTWVKGFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-13(2)18-10-19-16(12)24-9-14-4-6-22(7-5-14)17(23)15-8-21(3)11-20-15/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of [4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 134160740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).