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

C20H24Cl2N6 — CID 5328114

IUPAC6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C20H24Cl2N6/c1-3-28(4-2)10-6-9-24-20-25-12-13-11-14(18(23)26-19(13)27-20)17-15(21)7-5-8-16(17)22/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H3,23,24,25,26,27)
InChIKeySMOWUDDAIFECTN-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.72
Rot. Bonds8

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

6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 5328114) has the molecular formula C20H24Cl2N6 and a molecular weight of 419.36 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID5328114
Molecular FormulaC20H24Cl2N6
Molecular Weight419.36 g/mol
Exact Mass418.14
IUPAC Name6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C20H24Cl2N6/c1-3-28(4-2)10-6-9-24-20-25-12-13-11-14(18(23)26-19(13)27-20)17-15(21)7-5-8-16(17)22/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H3,23,24,25,26,27)
InChIKeySMOWUDDAIFECTN-UHFFFAOYSA-N
XLogP4.72
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.72
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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Related Compounds

4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
2-Tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 25098114
PD 161570
CID 5328135
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
1-(4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 11696113
1-(4-(4-chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 24762195
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
6-{[(2,5-Dichlorophenyl)amino]methyl}pyrido[2,3-D]pyrimidine-2,4-Diamine
CID 472910
1-(2-Amino-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-yl)-3-(tert-butyl)urea
CID 5328112
6-(2,6-Dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328113
3-Tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
CID 5328115
6-(2,6-Dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328116

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine (CID 5328114) is 6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine is CCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is SMOWUDDAIFECTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N6/c1-3-28(4-2)10-6-9-24-20-25-12-13-11-14(18(23)26-19(13)27-20)17-15(21)7-5-8-16(17)22/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H3,23,24,25,26,27).
What are the key properties of 6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine?
6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 419.36 g/mol, XLogP of 4.72, 8 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-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 5328114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).