1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone

C17H26N4O — CID 110271113

IUPAC1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(c3nc(C)cc(C)n3)C2)CC1
InChIInChI=1S/C17H26N4O/c1-12-10-13(2)19-17(18-12)15-4-7-21(11-15)16-5-8-20(9-6-16)14(3)22/h10,15-16H,4-9,11H2,1-3H3
InChIKeyUKDCNGMECFDUCJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.89
Rot. Bonds2

About 1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone

1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 110271113) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
PubChem CID110271113
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(c3nc(C)cc(C)n3)C2)CC1
InChIInChI=1S/C17H26N4O/c1-12-10-13(2)19-17(18-12)15-4-7-21(11-15)16-5-8-20(9-6-16)14(3)22/h10,15-16H,4-9,11H2,1-3H3
InChIKeyUKDCNGMECFDUCJ-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone (CID 110271113) is 1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC(c3nc(C)cc(C)n3)C2)CC1.
What is the InChIKey of 1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is UKDCNGMECFDUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12-10-13(2)19-17(18-12)15-4-7-21(11-15)16-5-8-20(9-6-16)14(3)22/h10,15-16H,4-9,11H2,1-3H3.
What are the key properties of 1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110271113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).