6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C16H16IN5O — CID 6481091

IUPAC6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(I)cc1Cc1cnc2nc(N)nc(N)c2c1C
InChIInChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(17)3-4-12(9)23-2)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
InChIKeyCFTCUSCIZZTKPF-UHFFFAOYSA-N
MW421.24 g/mol
LogP2.70
Rot. Bonds3

About 6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 6481091) has the molecular formula C16H16IN5O and a molecular weight of 421.24 g/mol. Its IUPAC name is 6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID6481091
Molecular FormulaC16H16IN5O
Molecular Weight421.24 g/mol
Exact Mass421.04
IUPAC Name6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(I)cc1Cc1cnc2nc(N)nc(N)c2c1C
InChIInChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(17)3-4-12(9)23-2)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
InChIKeyCFTCUSCIZZTKPF-UHFFFAOYSA-N
XLogP2.70
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 6481091) is 6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is COc1ccc(I)cc1Cc1cnc2nc(N)nc(N)c2c1C.
What is the InChIKey of 6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CFTCUSCIZZTKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(17)3-4-12(9)23-2)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22).
What are the key properties of 6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 421.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 6481091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).