6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine

C15H15BrN6 — CID 13409557

IUPAC6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESCN(Cc1cccc(Br)c1)c1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C15H15BrN6/c1-22(8-9-3-2-4-10(16)7-9)12-6-5-11-13(20-12)14(17)21-15(18)19-11/h2-7H,8H2,1H3,(H4,17,18,19,21)
InChIKeyPRLCZQKWEHHABL-UHFFFAOYSA-N
MW359.23 g/mol
LogP2.59
Rot. Bonds3

About 6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine

6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine (PubChem CID 13409557) has the molecular formula C15H15BrN6 and a molecular weight of 359.23 g/mol. Its IUPAC name is 6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine
PubChem CID13409557
Molecular FormulaC15H15BrN6
Molecular Weight359.23 g/mol
Exact Mass358.05
IUPAC Name6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine
SMILESCN(Cc1cccc(Br)c1)c1ccc2nc(N)nc(N)c2n1
InChIInChI=1S/C15H15BrN6/c1-22(8-9-3-2-4-10(16)7-9)12-6-5-11-13(20-12)14(17)21-15(18)19-11/h2-7H,8H2,1H3,(H4,17,18,19,21)
InChIKeyPRLCZQKWEHHABL-UHFFFAOYSA-N
XLogP2.59
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine (CID 13409557) is 6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine is CN(Cc1cccc(Br)c1)c1ccc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
The InChIKey is PRLCZQKWEHHABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6/c1-22(8-9-3-2-4-10(16)7-9)12-6-5-11-13(20-12)14(17)21-15(18)19-11/h2-7H,8H2,1H3,(H4,17,18,19,21).
What are the key properties of 6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine?
6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine has a molecular weight of 359.23 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3-bromophenyl)methyl]-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 13409557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).