4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine

C24H33ClN6 — CID 118721662

IUPAC4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCN1CCN(c2ccc(-c3nc(Cl)c4c(n3)N(CCCN3CCCC3)CC4)cc2)CC1
InChIInChI=1S/C24H33ClN6/c1-28-15-17-30(18-16-28)20-7-5-19(6-8-20)23-26-22(25)21-9-14-31(24(21)27-23)13-4-12-29-10-2-3-11-29/h5-8H,2-4,9-18H2,1H3
InChIKeySTJYNRMIXPPOHW-UHFFFAOYSA-N
MW441.02 g/mol
LogP3.40
Rot. Bonds6

About 4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine

4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 118721662) has the molecular formula C24H33ClN6 and a molecular weight of 441.02 g/mol. Its IUPAC name is 4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID118721662
Molecular FormulaC24H33ClN6
Molecular Weight441.02 g/mol
Exact Mass440.25
IUPAC Name4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCN1CCN(c2ccc(-c3nc(Cl)c4c(n3)N(CCCN3CCCC3)CC4)cc2)CC1
InChIInChI=1S/C24H33ClN6/c1-28-15-17-30(18-16-28)20-7-5-19(6-8-20)23-26-22(25)21-9-14-31(24(21)27-23)13-4-12-29-10-2-3-11-29/h5-8H,2-4,9-18H2,1H3
InChIKeySTJYNRMIXPPOHW-UHFFFAOYSA-N
XLogP3.40
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.02
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 54760105
4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
CID 54760478
N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine
CID 54760479
5,6-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(2-pyrrolidin-1-ylethoxy)ethyl]pyrimidin-4-amine
CID 53390397
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174765758
6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine
CID 71479252
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 146274528
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine
CID 10518421
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827958

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 118721662) is 4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine is CN1CCN(c2ccc(-c3nc(Cl)c4c(n3)N(CCCN3CCCC3)CC4)cc2)CC1.
What is the InChIKey of 4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is STJYNRMIXPPOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN6/c1-28-15-17-30(18-16-28)20-7-5-19(6-8-20)23-26-22(25)21-9-14-31(24(21)27-23)13-4-12-29-10-2-3-11-29/h5-8H,2-4,9-18H2,1H3.
What are the key properties of 4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 441.02 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118721662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).