4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine

C20H23BrN6O — CID 5328381

IUPAC4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(Br)c2)c2cc(NCCN3CCOCC3)ncc2n1
InChIInChI=1S/C20H23BrN6O/c1-14-24-18-13-23-19(22-5-6-27-7-9-28-10-8-27)12-17(18)20(25-14)26-16-4-2-3-15(21)11-16/h2-4,11-13H,5-10H2,1H3,(H,22,23)(H,24,25,26)
InChIKeyYKLBZCPQLOXMBM-UHFFFAOYSA-N
MW443.35 g/mol
LogP3.58
Rot. Bonds6

About 4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine

4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 5328381) has the molecular formula C20H23BrN6O and a molecular weight of 443.35 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID5328381
Molecular FormulaC20H23BrN6O
Molecular Weight443.35 g/mol
Exact Mass442.11
IUPAC Name4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(Br)c2)c2cc(NCCN3CCOCC3)ncc2n1
InChIInChI=1S/C20H23BrN6O/c1-14-24-18-13-23-19(22-5-6-27-7-9-28-10-8-27)12-17(18)20(25-14)26-16-4-2-3-15(21)11-16/h2-4,11-13H,5-10H2,1H3,(H,22,23)(H,24,25,26)
InChIKeyYKLBZCPQLOXMBM-UHFFFAOYSA-N
XLogP3.58
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 5328381) is 4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is Cc1nc(Nc2cccc(Br)c2)c2cc(NCCN3CCOCC3)ncc2n1.
What is the InChIKey of 4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is YKLBZCPQLOXMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN6O/c1-14-24-18-13-23-19(22-5-6-27-7-9-28-10-8-27)12-17(18)20(25-14)26-16-4-2-3-15(21)11-16/h2-4,11-13H,5-10H2,1H3,(H,22,23)(H,24,25,26).
What are the key properties of 4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 443.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).