(1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

C15H20N6O — CID 136538523

IUPAC(1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCn1ccnc1C(=O)N1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C15H20N6O/c1-3-19-7-6-17-14(19)15(22)21-10-8-20(9-11-21)13-4-5-16-12(2)18-13/h4-7H,3,8-11H2,1-2H3
InChIKeyISOQRCAGDMDYPP-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.96
Rot. Bonds3

About (1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

(1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 136538523) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID136538523
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCn1ccnc1C(=O)N1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C15H20N6O/c1-3-19-7-6-17-14(19)15(22)21-10-8-20(9-11-21)13-4-5-16-12(2)18-13/h4-7H,3,8-11H2,1-2H3
InChIKeyISOQRCAGDMDYPP-UHFFFAOYSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 84588350
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 86791348
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 75522573
[5-(difluoromethyl)-1-phenyltriazol-4-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 136551228
3-(4-methoxyphenyl)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 71996669
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 25284874
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414
[2-[(3S,4S)-3-(hydroxymethyl)-4-propylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 166390027
1-(2-methylpyrimidin-4-yl)piperidin-4-one
CID 62785662
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 136538523) is (1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is CCn1ccnc1C(=O)N1CCN(c2ccnc(C)n2)CC1.
What is the InChIKey of (1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is ISOQRCAGDMDYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-19-7-6-17-14(19)15(22)21-10-8-20(9-11-21)13-4-5-16-12(2)18-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
(1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 300.37 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 136538523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).