4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine

C20H14Cl2N4O — CID 22543583

IUPAC4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C20H14Cl2N4O/c21-14-8-15(22)10-16(9-14)26-19-18(23)20(25-11-24-19)27-17-6-5-12-3-1-2-4-13(12)7-17/h1-11H,23H2,(H,24,25,26)
InChIKeyQVAACSNQYZGIMP-UHFFFAOYSA-N
MW397.27 g/mol
LogP6.05
Rot. Bonds4

About 4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine

4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine (PubChem CID 22543583) has the molecular formula C20H14Cl2N4O and a molecular weight of 397.27 g/mol. Its IUPAC name is 4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
PubChem CID22543583
Molecular FormulaC20H14Cl2N4O
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C20H14Cl2N4O/c21-14-8-15(22)10-16(9-14)26-19-18(23)20(25-11-24-19)27-17-6-5-12-3-1-2-4-13(12)7-17/h1-11H,23H2,(H,24,25,26)
InChIKeyQVAACSNQYZGIMP-UHFFFAOYSA-N
XLogP6.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.27
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543686
4-N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543594
4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 22543654
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543670
1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone
CID 22543595
4-N-(1,3-benzothiazol-2-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543666
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate
CID 22543668
4-N-(3,5-dimethylphenyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine
CID 22540925
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-hexadecyl-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543641
6-(5-bromoquinolin-8-yl)oxy-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22545032

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine (CID 22543583) is 4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine is Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Oc1ccc2ccccc2c1.
What is the InChIKey of 4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The InChIKey is QVAACSNQYZGIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O/c21-14-8-15(22)10-16(9-14)26-19-18(23)20(25-11-24-19)27-17-6-5-12-3-1-2-4-13(12)7-17/h1-11H,23H2,(H,24,25,26).
What are the key properties of 4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine has a molecular weight of 397.27 g/mol, XLogP of 6.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 22543583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).