4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine

C21H17ClN4O2 — CID 22541353

IUPAC4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
SMILESCOc1ccc(Cl)cc1Nc1ncnc(Oc2cccc3ccccc23)c1N
InChIInChI=1S/C21H17ClN4O2/c1-27-18-10-9-14(22)11-16(18)26-20-19(23)21(25-12-24-20)28-17-8-4-6-13-5-2-3-7-15(13)17/h2-12H,23H2,1H3,(H,24,25,26)
InChIKeyDNVFNIVYNWKZFV-UHFFFAOYSA-N
MW392.85 g/mol
LogP5.41
Rot. Bonds5

About 4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine

4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine (PubChem CID 22541353) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
PubChem CID22541353
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
SMILESCOc1ccc(Cl)cc1Nc1ncnc(Oc2cccc3ccccc23)c1N
InChIInChI=1S/C21H17ClN4O2/c1-27-18-10-9-14(22)11-16(18)26-20-19(23)21(25-12-24-20)28-17-8-4-6-13-5-2-3-7-15(13)17/h2-12H,23H2,1H3,(H,24,25,26)
InChIKeyDNVFNIVYNWKZFV-UHFFFAOYSA-N
XLogP5.41
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.85
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541350
4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 22546079
4-N-(2,5-dichlorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141921
4-N-(3-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541507
4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541455
4-N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543594
N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide
CID 22541478
4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22546010
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503
4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine
CID 81263462
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 22546108
N-(5-chloro-2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435164

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine (CID 22541353) is 4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine is COc1ccc(Cl)cc1Nc1ncnc(Oc2cccc3ccccc23)c1N.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The InChIKey is DNVFNIVYNWKZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-27-18-10-9-14(22)11-16(18)26-20-19(23)21(25-12-24-20)28-17-8-4-6-13-5-2-3-7-15(13)17/h2-12H,23H2,1H3,(H,24,25,26).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine has a molecular weight of 392.85 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 22541353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).