6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine

C21H26Cl2N6 — CID 5328133

IUPAC6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C21H26Cl2N6/c1-3-29(4-2)11-6-5-10-25-21-26-13-14-12-15(19(24)27-20(14)28-21)18-16(22)8-7-9-17(18)23/h7-9,12-13H,3-6,10-11H2,1-2H3,(H3,24,25,26,27,28)
InChIKeyGSZFEVQHOLXFAM-UHFFFAOYSA-N
MW433.39 g/mol
LogP5.11
Rot. Bonds9

About 6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine

6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 5328133) has the molecular formula C21H26Cl2N6 and a molecular weight of 433.39 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID5328133
Molecular FormulaC21H26Cl2N6
Molecular Weight433.39 g/mol
Exact Mass432.16
IUPAC Name6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C21H26Cl2N6/c1-3-29(4-2)11-6-5-10-25-21-26-13-14-12-15(19(24)27-20(14)28-21)18-16(22)8-7-9-17(18)23/h7-9,12-13H,3-6,10-11H2,1-2H3,(H3,24,25,26,27,28)
InChIKeyGSZFEVQHOLXFAM-UHFFFAOYSA-N
XLogP5.11
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine (CID 5328133) is 6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine is CCN(CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is GSZFEVQHOLXFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N6/c1-3-29(4-2)11-6-5-10-25-21-26-13-14-12-15(19(24)27-20(14)28-21)18-16(22)8-7-9-17(18)23/h7-9,12-13H,3-6,10-11H2,1-2H3,(H3,24,25,26,27,28).
What are the key properties of 6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 433.39 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 5328133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).