6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine

C21H25Cl2N7 — CID 5328148

IUPAC6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(N)nc3n2)CC1
InChIInChI=1S/C21H25Cl2N7/c1-29-8-10-30(11-9-29)7-3-6-25-21-26-13-14-12-15(19(24)27-20(14)28-21)18-16(22)4-2-5-17(18)23/h2,4-5,12-13H,3,6-11H2,1H3,(H3,24,25,26,27,28)
InChIKeyGFIUKKVYDDTJLV-UHFFFAOYSA-N
MW446.39 g/mol
LogP3.63
Rot. Bonds6

About 6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine

6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 5328148) has the molecular formula C21H25Cl2N7 and a molecular weight of 446.39 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID5328148
Molecular FormulaC21H25Cl2N7
Molecular Weight446.39 g/mol
Exact Mass445.15
IUPAC Name6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(N)nc3n2)CC1
InChIInChI=1S/C21H25Cl2N7/c1-29-8-10-30(11-9-29)7-3-6-25-21-26-13-14-12-15(19(24)27-20(14)28-21)18-16(22)4-2-5-17(18)23/h2,4-5,12-13H,3,6-11H2,1H3,(H3,24,25,26,27,28)
InChIKeyGFIUKKVYDDTJLV-UHFFFAOYSA-N
XLogP3.63
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine (CID 5328148) is 6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine is CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(N)nc3n2)CC1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is GFIUKKVYDDTJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N7/c1-29-8-10-30(11-9-29)7-3-6-25-21-26-13-14-12-15(19(24)27-20(14)28-21)18-16(22)4-2-5-17(18)23/h2,4-5,12-13H,3,6-11H2,1H3,(H3,24,25,26,27,28).
What are the key properties of 6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 446.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 5328148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).