6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine

C13H10Cl2N6 — CID 54096869

IUPAC6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine
SMILESNc1nc(N)c2nc(Cc3ccc(Cl)c(Cl)c3)cnc2n1
InChIInChI=1S/C13H10Cl2N6/c14-8-2-1-6(4-9(8)15)3-7-5-18-12-10(19-7)11(16)20-13(17)21-12/h1-2,4-5H,3H2,(H4,16,17,18,20,21)
InChIKeyMXSOUXKPWFFDIN-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.48
Rot. Bonds2

About 6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine

6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine (PubChem CID 54096869) has the molecular formula C13H10Cl2N6 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine
PubChem CID54096869
Molecular FormulaC13H10Cl2N6
Molecular Weight321.17 g/mol
Exact Mass320.03
IUPAC Name6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine
SMILESNc1nc(N)c2nc(Cc3ccc(Cl)c(Cl)c3)cnc2n1
InChIInChI=1S/C13H10Cl2N6/c14-8-2-1-6(4-9(8)15)3-7-5-18-12-10(19-7)11(16)20-13(17)21-12/h1-2,4-5H,3H2,(H4,16,17,18,20,21)
InChIKeyMXSOUXKPWFFDIN-UHFFFAOYSA-N
XLogP2.48
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

SD-208
CID 10316032
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
N-benzylpyrido[3,2-d]pyrimidin-4-amine
CID 5328272
2-(3,5-Dichlorophenyl)-7-methylpyrido[2,3-d]pyrimidine
CID 44435034
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
6,7-Bis((4-chlorophenyl)methyl)-2,4-pteridinediamine
CID 457364
4-Pteridinamine, 7-phenyl-
CID 3056066
4-Chloro-2-(pyridin-2-yl)quinazoline
CID 930716
2,4-Pteridinediamine, 6-phenyl-
CID 10130945
6-(3-Chlorophenyl)pteridine-2,4,7-Triamine
CID 118987042
6-[(3,4-Dichloroanilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 456893

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine?
The IUPAC name of 6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine (CID 54096869) is 6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine is Nc1nc(N)c2nc(Cc3ccc(Cl)c(Cl)c3)cnc2n1.
What is the InChIKey of 6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine?
The InChIKey is MXSOUXKPWFFDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N6/c14-8-2-1-6(4-9(8)15)3-7-5-18-12-10(19-7)11(16)20-13(17)21-12/h1-2,4-5H,3H2,(H4,16,17,18,20,21).
What are the key properties of 6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine?
6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine has a molecular weight of 321.17 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine is sourced from PubChem (CID 54096869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).