2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine

C20H16Cl2N6 — CID 16911093

IUPAC2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine
SMILESCc1cc(Cl)ccc1Nc1nc(Nc2ccc(Cl)cc2C)c2nccnc2n1
InChIInChI=1S/C20H16Cl2N6/c1-11-9-13(21)3-5-15(11)25-19-17-18(24-8-7-23-17)27-20(28-19)26-16-6-4-14(22)10-12(16)2/h3-10H,1-2H3,(H2,24,25,26,27,28)
InChIKeyXNWQZEMCZXFWJO-UHFFFAOYSA-N
MW411.30 g/mol
LogP5.83
Rot. Bonds4

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

2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine (PubChem CID 16911093) has the molecular formula C20H16Cl2N6 and a molecular weight of 411.30 g/mol. Its IUPAC name is 2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine
PubChem CID16911093
Molecular FormulaC20H16Cl2N6
Molecular Weight411.30 g/mol
Exact Mass410.08
IUPAC Name2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine
SMILESCc1cc(Cl)ccc1Nc1nc(Nc2ccc(Cl)cc2C)c2nccnc2n1
InChIInChI=1S/C20H16Cl2N6/c1-11-9-13(21)3-5-15(11)25-19-17-18(24-8-7-23-17)27-20(28-19)26-16-6-4-14(22)10-12(16)2/h3-10H,1-2H3,(H2,24,25,26,27,28)
InChIKeyXNWQZEMCZXFWJO-UHFFFAOYSA-N
XLogP5.83
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine
CID 16911080
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
4-N-(4-chloro-2-methylphenyl)-2-N-(3-methoxyphenyl)pteridine-2,4-diamine
CID 16911086
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
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910921
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
4-chloro-N-(4-chloro-2-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114256288

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine (CID 16911093) is 2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine is Cc1cc(Cl)ccc1Nc1nc(Nc2ccc(Cl)cc2C)c2nccnc2n1.
What is the InChIKey of 2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine?
The InChIKey is XNWQZEMCZXFWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N6/c1-11-9-13(21)3-5-15(11)25-19-17-18(24-8-7-23-17)27-20(28-19)26-16-6-4-14(22)10-12(16)2/h3-10H,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine?
2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine has a molecular weight of 411.30 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16911093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).