6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine

C16H18Cl2N4O — CID 22546948

IUPAC6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Cl)c(Cl)c2)ncnc1OC1CCCCC1
InChIInChI=1S/C16H18Cl2N4O/c17-12-7-6-10(8-13(12)18)22-15-14(19)16(21-9-20-15)23-11-4-2-1-3-5-11/h6-9,11H,1-5,19H2,(H,20,21,22)
InChIKeyBKXXCCUTLIVEJV-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.82
Rot. Bonds4

About 6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine

6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine (PubChem CID 22546948) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is 6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine
PubChem CID22546948
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Cl)c(Cl)c2)ncnc1OC1CCCCC1
InChIInChI=1S/C16H18Cl2N4O/c17-12-7-6-10(8-13(12)18)22-15-14(19)16(21-9-20-15)23-11-4-2-1-3-5-11/h6-9,11H,1-5,19H2,(H,20,21,22)
InChIKeyBKXXCCUTLIVEJV-UHFFFAOYSA-N
XLogP4.82
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclohexyloxy-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
CID 19146561
4-N-(3-chloro-2-methylphenyl)-6-cyclohexyloxypyrimidine-4,5-diamine
CID 22545500
dimethyl 5-[(5-amino-6-cyclohexyloxypyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
CID 22547754
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine
CID 19154177
4-N-(1,3-benzothiazol-2-yl)-6-cyclohexyloxypyrimidine-4,5-diamine
CID 19146051
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
methyl 4-[[5-amino-6-(3,4-dichloroanilino)pyrimidin-4-yl]amino]benzoate
CID 22546860
4-N-(3,4-dichlorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546939
4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22546792
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049792
N'-(5-amino-6-cyclohexyloxypyrimidin-4-yl)pyridine-2-carbohydrazide
CID 19152018

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine (CID 22546948) is 6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine is Nc1c(Nc2ccc(Cl)c(Cl)c2)ncnc1OC1CCCCC1.
What is the InChIKey of 6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine?
The InChIKey is BKXXCCUTLIVEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c17-12-7-6-10(8-13(12)18)22-15-14(19)16(21-9-20-15)23-11-4-2-1-3-5-11/h6-9,11H,1-5,19H2,(H,20,21,22).
What are the key properties of 6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine?
6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine has a molecular weight of 353.25 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-4-N-(3,4-dichlorophenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22546948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).