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

C22H30N6 — CID 5328118

IUPAC2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCCN(CC)CCCNc1ncc2cc(-c3c(C)cccc3C)c(N)nc2n1
InChIInChI=1S/C22H30N6/c1-5-28(6-2)12-8-11-24-22-25-14-17-13-18(20(23)26-21(17)27-22)19-15(3)9-7-10-16(19)4/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3,(H3,23,24,25,26,27)
InChIKeyMAHHICHAEAGUTG-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.03
Rot. Bonds8

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

2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 5328118) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID5328118
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCCN(CC)CCCNc1ncc2cc(-c3c(C)cccc3C)c(N)nc2n1
InChIInChI=1S/C22H30N6/c1-5-28(6-2)12-8-11-24-22-25-14-17-13-18(20(23)26-21(17)27-22)19-15(3)9-7-10-16(19)4/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3,(H3,23,24,25,26,27)
InChIKeyMAHHICHAEAGUTG-UHFFFAOYSA-N
XLogP4.03
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.03
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 2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine (CID 5328118) is 2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine is CCN(CC)CCCNc1ncc2cc(-c3c(C)cccc3C)c(N)nc2n1.
What is the InChIKey of 2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is MAHHICHAEAGUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-5-28(6-2)12-8-11-24-22-25-14-17-13-18(20(23)26-21(17)27-22)19-15(3)9-7-10-16(19)4/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3,(H3,23,24,25,26,27).
What are the key properties of 2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 378.52 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 5328118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).