2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine

C19H33N5 — CID 84587555

IUPAC2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCCCN1CCC(N2CCN(c3nc(C)nc(C)c3C)CC2)CC1
InChIInChI=1S/C19H33N5/c1-5-8-22-9-6-18(7-10-22)23-11-13-24(14-12-23)19-15(2)16(3)20-17(4)21-19/h18H,5-14H2,1-4H3
InChIKeyIFBDWUIVIVHPBN-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.40
Rot. Bonds4

About 2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine

2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 84587555) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID84587555
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCCCN1CCC(N2CCN(c3nc(C)nc(C)c3C)CC2)CC1
InChIInChI=1S/C19H33N5/c1-5-8-22-9-6-18(7-10-22)23-11-13-24(14-12-23)19-15(2)16(3)20-17(4)21-19/h18H,5-14H2,1-4H3
InChIKeyIFBDWUIVIVHPBN-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine (CID 84587555) is 2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine is CCCN1CCC(N2CCN(c3nc(C)nc(C)c3C)CC2)CC1.
What is the InChIKey of 2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is IFBDWUIVIVHPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-5-8-22-9-6-18(7-10-22)23-11-13-24(14-12-23)19-15(2)16(3)20-17(4)21-19/h18H,5-14H2,1-4H3.
What are the key properties of 2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 331.51 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 84587555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).