6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride

C15H15BrClN5 — CID 44531061

IUPAC6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCc1c(Cc2ccccc2Br)cnc2nc(N)nc(N)c12.Cl
InChIInChI=1S/C15H14BrN5.ClH/c1-8-10(6-9-4-2-3-5-11(9)16)7-19-14-12(8)13(17)20-15(18)21-14;/h2-5,7H,6H2,1H3,(H4,17,18,19,20,21);1H
InChIKeyHRIOZZPKHOBAPP-UHFFFAOYSA-N
MW380.68 g/mol
LogP3.27
Rot. Bonds2

About 6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride

6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44531061) has the molecular formula C15H15BrClN5 and a molecular weight of 380.68 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44531061
Molecular FormulaC15H15BrClN5
Molecular Weight380.68 g/mol
Exact Mass379.02
IUPAC Name6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCc1c(Cc2ccccc2Br)cnc2nc(N)nc(N)c12.Cl
InChIInChI=1S/C15H14BrN5.ClH/c1-8-10(6-9-4-2-3-5-11(9)16)7-19-14-12(8)13(17)20-15(18)21-14;/h2-5,7H,6H2,1H3,(H4,17,18,19,20,21);1H
InChIKeyHRIOZZPKHOBAPP-UHFFFAOYSA-N
XLogP3.27
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.68
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 44531061) is 6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is Cc1c(Cc2ccccc2Br)cnc2nc(N)nc(N)c12.Cl.
What is the InChIKey of 6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is HRIOZZPKHOBAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5.ClH/c1-8-10(6-9-4-2-3-5-11(9)16)7-19-14-12(8)13(17)20-15(18)21-14;/h2-5,7H,6H2,1H3,(H4,17,18,19,20,21);1H.
What are the key properties of 6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 380.68 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).