[2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone

C25H34N6O — CID 91947291

IUPAC[2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1c(C2CCCN(C(=O)c3cc(C)nc(N(CC)CC)n3)C2)nc2ccccc21
InChIInChI=1S/C25H34N6O/c1-5-14-31-22-13-9-8-12-20(22)27-23(31)19-11-10-15-30(17-19)24(32)21-16-18(4)26-25(28-21)29(6-2)7-3/h8-9,12-13,16,19H,5-7,10-11,14-15,17H2,1-4H3
InChIKeyUYLTVVDXTMHDPK-UHFFFAOYSA-N
MW434.59 g/mol
LogP4.41
Rot. Bonds7

About [2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone

[2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 91947291) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is [2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID91947291
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name[2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1c(C2CCCN(C(=O)c3cc(C)nc(N(CC)CC)n3)C2)nc2ccccc21
InChIInChI=1S/C25H34N6O/c1-5-14-31-22-13-9-8-12-20(22)27-23(31)19-11-10-15-30(17-19)24(32)21-16-18(4)26-25(28-21)29(6-2)7-3/h8-9,12-13,16,19H,5-7,10-11,14-15,17H2,1-4H3
InChIKeyUYLTVVDXTMHDPK-UHFFFAOYSA-N
XLogP4.41
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 91947291) is [2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone is CCCn1c(C2CCCN(C(=O)c3cc(C)nc(N(CC)CC)n3)C2)nc2ccccc21.
What is the InChIKey of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is UYLTVVDXTMHDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-5-14-31-22-13-9-8-12-20(22)27-23(31)19-11-10-15-30(17-19)24(32)21-16-18(4)26-25(28-21)29(6-2)7-3/h8-9,12-13,16,19H,5-7,10-11,14-15,17H2,1-4H3.
What are the key properties of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 434.59 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91947291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).