4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine

C18H19ClN6 — CID 16910684

IUPAC4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine
SMILESClc1ccc(Nc2nc(NC3CCCCC3)nc3nccnc23)cc1
InChIInChI=1S/C18H19ClN6/c19-12-6-8-14(9-7-12)22-17-15-16(21-11-10-20-15)24-18(25-17)23-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,21,22,23,24,25)
InChIKeySYCLFPFXLNIQNH-UHFFFAOYSA-N
MW354.85 g/mol
LogP4.56
Rot. Bonds4

About 4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine

4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine (PubChem CID 16910684) has the molecular formula C18H19ClN6 and a molecular weight of 354.85 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine
PubChem CID16910684
Molecular FormulaC18H19ClN6
Molecular Weight354.85 g/mol
Exact Mass354.14
IUPAC Name4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine
SMILESClc1ccc(Nc2nc(NC3CCCCC3)nc3nccnc23)cc1
InChIInChI=1S/C18H19ClN6/c19-12-6-8-14(9-7-12)22-17-15-16(21-11-10-20-15)24-18(25-17)23-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,21,22,23,24,25)
InChIKeySYCLFPFXLNIQNH-UHFFFAOYSA-N
XLogP4.56
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910617
2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910766
2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910827
6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 758948
4-N-(4-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pteridine-2,4-diamine
CID 16910687
4-N-(4-chlorophenyl)-2-N-cycloheptyl-6-methylpyrimidine-2,4-diamine
CID 112924981
4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 686003
4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709325
2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910433
6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 44627401
4-N-(3-chloro-4-methylphenyl)-2-N-(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911159
2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine
CID 16911174

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine (CID 16910684) is 4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine is Clc1ccc(Nc2nc(NC3CCCCC3)nc3nccnc23)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine?
The InChIKey is SYCLFPFXLNIQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6/c19-12-6-8-14(9-7-12)22-17-15-16(21-11-10-20-15)24-18(25-17)23-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,21,22,23,24,25).
What are the key properties of 4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine?
4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine has a molecular weight of 354.85 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine is sourced from PubChem (CID 16910684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).