6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine

C18H20Cl2N6 — CID 5328138

IUPAC6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCN(C)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C18H20Cl2N6/c1-26(2)8-4-7-22-18-23-10-11-9-12(16(21)24-17(11)25-18)15-13(19)5-3-6-14(15)20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyZGAIQKMSOMVUIS-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.94
Rot. Bonds6

About 6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine

6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 5328138) has the molecular formula C18H20Cl2N6 and a molecular weight of 391.31 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID5328138
Molecular FormulaC18H20Cl2N6
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC Name6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCN(C)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C18H20Cl2N6/c1-26(2)8-4-7-22-18-23-10-11-9-12(16(21)24-17(11)25-18)15-13(19)5-3-6-14(15)20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyZGAIQKMSOMVUIS-UHFFFAOYSA-N
XLogP3.94
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.94
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-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine (CID 5328138) is 6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine is CN(C)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is ZGAIQKMSOMVUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N6/c1-26(2)8-4-7-22-18-23-10-11-9-12(16(21)24-17(11)25-18)15-13(19)5-3-6-14(15)20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 391.31 g/mol, XLogP of 3.94, 6 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-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 5328138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).