4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine

C16H23N5 — CID 72868863

IUPAC4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCCC(c3nccn3C(C)C)C2)n1
InChIInChI=1S/C16H23N5/c1-12(2)21-10-8-17-15(21)14-5-4-9-20(11-14)16-18-7-6-13(3)19-16/h6-8,10,12,14H,4-5,9,11H2,1-3H3
InChIKeyDTQRHSVTRVWBEB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.95
Rot. Bonds3

About 4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine

4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 72868863) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
PubChem CID72868863
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCCC(c3nccn3C(C)C)C2)n1
InChIInChI=1S/C16H23N5/c1-12(2)21-10-8-17-15(21)14-5-4-9-20(11-14)16-18-7-6-13(3)19-16/h6-8,10,12,14H,4-5,9,11H2,1-3H3
InChIKeyDTQRHSVTRVWBEB-UHFFFAOYSA-N
XLogP2.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine (CID 72868863) is 4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine is Cc1ccnc(N2CCCC(c3nccn3C(C)C)C2)n1.
What is the InChIKey of 4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is DTQRHSVTRVWBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)21-10-8-17-15(21)14-5-4-9-20(11-14)16-18-7-6-13(3)19-16/h6-8,10,12,14H,4-5,9,11H2,1-3H3.
What are the key properties of 4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72868863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).