8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine

C23H21BrN4O2 — CID 71207858

IUPAC8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc3c(Br)cncc23)cc1
InChIInChI=1S/C23H21BrN4O2/c1-29-18-7-3-16(4-8-18)13-28(14-17-5-9-19(30-2)10-6-17)23-20-11-25-12-21(24)22(20)26-15-27-23/h3-12,15H,13-14H2,1-2H3
InChIKeyAZBHMGMQELJYIX-UHFFFAOYSA-N
MW465.35 g/mol
LogP5.01
Rot. Bonds7

About 8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine

8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 71207858) has the molecular formula C23H21BrN4O2 and a molecular weight of 465.35 g/mol. Its IUPAC name is 8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine
PubChem CID71207858
Molecular FormulaC23H21BrN4O2
Molecular Weight465.35 g/mol
Exact Mass464.08
IUPAC Name8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc3c(Br)cncc23)cc1
InChIInChI=1S/C23H21BrN4O2/c1-29-18-7-3-16(4-8-18)13-28(14-17-5-9-19(30-2)10-6-17)23-20-11-25-12-21(24)22(20)26-15-27-23/h3-12,15H,13-14H2,1-2H3
InChIKeyAZBHMGMQELJYIX-UHFFFAOYSA-N
XLogP5.01
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine (CID 71207858) is 8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2ncnc3c(Br)cncc23)cc1.
What is the InChIKey of 8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is AZBHMGMQELJYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O2/c1-29-18-7-3-16(4-8-18)13-28(14-17-5-9-19(30-2)10-6-17)23-20-11-25-12-21(24)22(20)26-15-27-23/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine?
8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 465.35 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71207858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).