4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine

C24H27N7 — CID 91390289

IUPAC4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine
SMILESc1cc(Nc2nccc(NCCCN3CCNC3)n2)cc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C24H27N7/c1-2-8-21-19(5-1)16-22(29-21)18-6-3-7-20(15-18)28-24-27-11-9-23(30-24)26-10-4-13-31-14-12-25-17-31/h1-3,5-9,11,15-16,25,29H,4,10,12-14,17H2,(H2,26,27,28,30)
InChIKeyJGSSICROHXOQNF-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.03
Rot. Bonds8

About 4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine

4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 91390289) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine
PubChem CID91390289
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine
SMILESc1cc(Nc2nccc(NCCCN3CCNC3)n2)cc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C24H27N7/c1-2-8-21-19(5-1)16-22(29-21)18-6-3-7-20(15-18)28-24-27-11-9-23(30-24)26-10-4-13-31-14-12-25-17-31/h1-3,5-9,11,15-16,25,29H,4,10,12-14,17H2,(H2,26,27,28,30)
InChIKeyJGSSICROHXOQNF-UHFFFAOYSA-N
XLogP4.03
TPSA80.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine 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-N-[3-(1H-indol-3-yl)phenyl]-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798522
2-N-(3-methylphenyl)-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine
CID 91217991
2-N-[3-(3-nitrophenyl)phenyl]-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798345
2-N-[3-(3-chlorophenyl)phenyl]-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798343
4-N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine
CID 91613573
4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine
CID 24797792
2-N-[3-(3-methoxyphenyl)phenyl]-4-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798064
4-N-[3-(2,5-dihydropyrrol-1-yl)propyl]-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
CID 91262527
2-N-[3-(3-chlorophenyl)phenyl]-4-N-[3-(2,4-dihydroimidazol-3-yl)propyl]pyrimidine-2,4-diamine
CID 90871154
4-N-[3-(2,5-dihydropyrrol-1-yl)propyl]-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine
CID 90748374
4-N-[3-(1,3-dihydropyrazol-2-yl)propyl]-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
CID 140520845
4-N-[3-(1,3-dihydropyrazol-2-yl)propyl]-2-N-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine
CID 140520844

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine (CID 91390289) is 4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine is c1cc(Nc2nccc(NCCCN3CCNC3)n2)cc(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is JGSSICROHXOQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-2-8-21-19(5-1)16-22(29-21)18-6-3-7-20(15-18)28-24-27-11-9-23(30-24)26-10-4-13-31-14-12-25-17-31/h1-3,5-9,11,15-16,25,29H,4,10,12-14,17H2,(H2,26,27,28,30).
What are the key properties of 4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine?
4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 413.53 g/mol, XLogP of 4.03, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-imidazolidin-1-ylpropyl)-2-N-[3-(1H-indol-2-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91390289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).