4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine

C22H29N7 — CID 5328329

IUPAC4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCc1cccc(Nc2ncnc3cc(NCCCN4CCN(C)CC4)ncc23)c1
InChIInChI=1S/C22H29N7/c1-17-5-3-6-18(13-17)27-22-19-15-24-21(14-20(19)25-16-26-22)23-7-4-8-29-11-9-28(2)10-12-29/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,23,24)(H,25,26,27)
InChIKeyZSWVFFAVTCICJD-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.13
Rot. Bonds7

About 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine

4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328329) has the molecular formula C22H29N7 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328329
Molecular FormulaC22H29N7
Molecular Weight391.52 g/mol
Exact Mass391.25
IUPAC Name4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCc1cccc(Nc2ncnc3cc(NCCCN4CCN(C)CC4)ncc23)c1
InChIInChI=1S/C22H29N7/c1-17-5-3-6-18(13-17)27-22-19-15-24-21(14-20(19)25-16-26-22)23-7-4-8-29-11-9-28(2)10-12-29/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,23,24)(H,25,26,27)
InChIKeyZSWVFFAVTCICJD-UHFFFAOYSA-N
XLogP3.13
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine with MolForge

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Related Compounds

Ngd-8243
CID 11247522
Pd 158780
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CID 24898732
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N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
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Fanotaprim
CID 134812633
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
N-Benzylquinazolin-4-amine
CID 616573

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328329) is 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine is Cc1cccc(Nc2ncnc3cc(NCCCN4CCN(C)CC4)ncc23)c1.
What is the InChIKey of 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is ZSWVFFAVTCICJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7/c1-17-5-3-6-18(13-17)27-22-19-15-24-21(14-20(19)25-16-26-22)23-7-4-8-29-11-9-28(2)10-12-29/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,23,24)(H,25,26,27).
What are the key properties of 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 391.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).