2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine

C25H33N5 — CID 150503492

IUPAC2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine
SMILESCc1cc(C)c(C)c(-c2cnc3nc(CCCN4CCN(C)CC4)ncc3c2)c1C
InChIInChI=1S/C25H33N5/c1-17-13-18(2)20(4)24(19(17)3)21-14-22-16-26-23(28-25(22)27-15-21)7-6-8-30-11-9-29(5)10-12-30/h13-16H,6-12H2,1-5H3
InChIKeyHYHRCCBLKZMZED-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.11
Rot. Bonds5

About 2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine

2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine (PubChem CID 150503492) has the molecular formula C25H33N5 and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine
PubChem CID150503492
Molecular FormulaC25H33N5
Molecular Weight403.57 g/mol
Exact Mass403.27
IUPAC Name2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine
SMILESCc1cc(C)c(C)c(-c2cnc3nc(CCCN4CCN(C)CC4)ncc3c2)c1C
InChIInChI=1S/C25H33N5/c1-17-13-18(2)20(4)24(19(17)3)21-14-22-16-26-23(28-25(22)27-15-21)7-6-8-30-11-9-29(5)10-12-30/h13-16H,6-12H2,1-5H3
InChIKeyHYHRCCBLKZMZED-UHFFFAOYSA-N
XLogP4.11
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine with MolForge

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Related Compounds

1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine
CID 170862633
1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine
CID 170862597
1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863010
1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
CID 170864210
7-[3-(4-methylpiperazin-1-yl)propyl]quinoline
CID 170863487
5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864165
2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine
CID 143940334
1-[3-(3,4,5-trimethylphenyl)propyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 59037199
6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline
CID 170864278
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol
CID 170862664
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine?
The IUPAC name of 2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine (CID 150503492) is 2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine is Cc1cc(C)c(C)c(-c2cnc3nc(CCCN4CCN(C)CC4)ncc3c2)c1C.
What is the InChIKey of 2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine?
The InChIKey is HYHRCCBLKZMZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5/c1-17-13-18(2)20(4)24(19(17)3)21-14-22-16-26-23(28-25(22)27-15-21)7-6-8-30-11-9-29(5)10-12-30/h13-16H,6-12H2,1-5H3.
What are the key properties of 2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine?
2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine has a molecular weight of 403.57 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 150503492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).