2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine

C17H28N4 — CID 50975563

IUPAC2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
SMILESCCCc1cnc(C)nc1N1CCC(N2CCCC2)CC1
InChIInChI=1S/C17H28N4/c1-3-6-15-13-18-14(2)19-17(15)21-11-7-16(8-12-21)20-9-4-5-10-20/h13,16H,3-12H2,1-2H3
InChIKeyZSXNKJMZPRUNLM-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.80
Rot. Bonds4

About 2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine

2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine (PubChem CID 50975563) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
PubChem CID50975563
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
SMILESCCCc1cnc(C)nc1N1CCC(N2CCCC2)CC1
InChIInChI=1S/C17H28N4/c1-3-6-15-13-18-14(2)19-17(15)21-11-7-16(8-12-21)20-9-4-5-10-20/h13,16H,3-12H2,1-2H3
InChIKeyZSXNKJMZPRUNLM-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine (CID 50975563) is 2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine is CCCc1cnc(C)nc1N1CCC(N2CCCC2)CC1.
What is the InChIKey of 2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine?
The InChIKey is ZSXNKJMZPRUNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-6-15-13-18-14(2)19-17(15)21-11-7-16(8-12-21)20-9-4-5-10-20/h13,16H,3-12H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine?
2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine has a molecular weight of 288.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 50975563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).