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

C16H23N5 — CID 72919107

IUPAC2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCC(c3nccn3C(C)C)CC2)n1
InChIInChI=1S/C16H23N5/c1-12(2)21-11-8-18-16(21)14-5-9-20(10-6-14)15-4-7-17-13(3)19-15/h4,7-8,11-12,14H,5-6,9-10H2,1-3H3
InChIKeyRPQCXESMBUSIID-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.95
Rot. Bonds3

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

2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 72919107) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
PubChem CID72919107
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCC(c3nccn3C(C)C)CC2)n1
InChIInChI=1S/C16H23N5/c1-12(2)21-11-8-18-16(21)14-5-9-20(10-6-14)15-4-7-17-13(3)19-15/h4,7-8,11-12,14H,5-6,9-10H2,1-3H3
InChIKeyRPQCXESMBUSIID-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 ≤ 500285.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine (CID 72919107) is 2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine is Cc1nccc(N2CCC(c3nccn3C(C)C)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is RPQCXESMBUSIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)21-11-8-18-16(21)14-5-9-20(10-6-14)15-4-7-17-13(3)19-15/h4,7-8,11-12,14H,5-6,9-10H2,1-3H3.
What are the key properties of 2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 285.40 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 2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72919107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).