4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine

C19H14Cl2N6 — CID 16911080

IUPAC4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine
SMILESCc1cc(Cl)ccc1Nc1nc(Nc2cccc(Cl)c2)nc2nccnc12
InChIInChI=1S/C19H14Cl2N6/c1-11-9-13(21)5-6-15(11)25-18-16-17(23-8-7-22-16)26-19(27-18)24-14-4-2-3-12(20)10-14/h2-10H,1H3,(H2,23,24,25,26,27)
InChIKeyQEJPKFJZXQRANF-UHFFFAOYSA-N
MW397.27 g/mol
LogP5.52
Rot. Bonds4

About 4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine

4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine (PubChem CID 16911080) has the molecular formula C19H14Cl2N6 and a molecular weight of 397.27 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine
PubChem CID16911080
Molecular FormulaC19H14Cl2N6
Molecular Weight397.27 g/mol
Exact Mass396.07
IUPAC Name4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine
SMILESCc1cc(Cl)ccc1Nc1nc(Nc2cccc(Cl)c2)nc2nccnc12
InChIInChI=1S/C19H14Cl2N6/c1-11-9-13(21)5-6-15(11)25-18-16-17(23-8-7-22-16)26-19(27-18)24-14-4-2-3-12(20)10-14/h2-10H,1H3,(H2,23,24,25,26,27)
InChIKeyQEJPKFJZXQRANF-UHFFFAOYSA-N
XLogP5.52
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.27
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-2-N-(3-methoxyphenyl)pteridine-2,4-diamine
CID 16911086
2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911093
4-N-(3-chloro-4-methylphenyl)-2-N-(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911159
4-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16911051
4-N-(4-chloro-2-methylphenyl)-2-N-(2-methylpropyl)pteridine-2,4-diamine
CID 16911069
1-[[4-(4-chloro-2-methylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16911072
N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine
CID 16911025
4-N-(4-chloro-2-methylphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pteridine-2,4-diamine
CID 16911060
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
6-N-(3-chlorophenyl)-4-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7162513
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910921
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine?
The IUPAC name of 4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine (CID 16911080) is 4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine?
The canonical SMILES for 4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine is Cc1cc(Cl)ccc1Nc1nc(Nc2cccc(Cl)c2)nc2nccnc12.
What is the InChIKey of 4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine?
The InChIKey is QEJPKFJZXQRANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6/c1-11-9-13(21)5-6-15(11)25-18-16-17(23-8-7-22-16)26-19(27-18)24-14-4-2-3-12(20)10-14/h2-10H,1H3,(H2,23,24,25,26,27).
What are the key properties of 4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine?
4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine has a molecular weight of 397.27 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16911080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).