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

C20H15ClN4O — CID 22543686

IUPAC4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C20H15ClN4O/c21-15-6-3-7-16(11-15)25-19-18(22)20(24-12-23-19)26-17-9-8-13-4-1-2-5-14(13)10-17/h1-12H,22H2,(H,23,24,25)
InChIKeyXPWABSJTXLWKPJ-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.40
Rot. Bonds4

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

4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine (PubChem CID 22543686) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
PubChem CID22543686
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C20H15ClN4O/c21-15-6-3-7-16(11-15)25-19-18(22)20(24-12-23-19)26-17-9-8-13-4-1-2-5-14(13)10-17/h1-12H,22H2,(H,23,24,25)
InChIKeyXPWABSJTXLWKPJ-UHFFFAOYSA-N
XLogP5.40
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543583
1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone
CID 22543595
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
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294
6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148333
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
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
4-N-hexadecyl-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543641

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine (CID 22543686) is 4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine is Nc1c(Nc2cccc(Cl)c2)ncnc1Oc1ccc2ccccc2c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The InChIKey is XPWABSJTXLWKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-15-6-3-7-16(11-15)25-19-18(22)20(24-12-23-19)26-17-9-8-13-4-1-2-5-14(13)10-17/h1-12H,22H2,(H,23,24,25).
What are the key properties of 4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine has a molecular weight of 362.82 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 22543686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).