4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine

C21H17ClN4O — CID 22541350

IUPAC4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
SMILESCc1c(Cl)cccc1Nc1ncnc(Oc2cccc3ccccc23)c1N
InChIInChI=1S/C21H17ClN4O/c1-13-16(22)9-5-10-17(13)26-20-19(23)21(25-12-24-20)27-18-11-4-7-14-6-2-3-8-15(14)18/h2-12H,23H2,1H3,(H,24,25,26)
InChIKeyDAIBDNZKTLMQQC-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.71
Rot. Bonds4

About 4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine

4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine (PubChem CID 22541350) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
PubChem CID22541350
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
SMILESCc1c(Cl)cccc1Nc1ncnc(Oc2cccc3ccccc23)c1N
InChIInChI=1S/C21H17ClN4O/c1-13-16(22)9-5-10-17(13)26-20-19(23)21(25-12-24-20)27-18-11-4-7-14-6-2-3-8-15(14)18/h2-12H,23H2,1H3,(H,24,25,26)
InChIKeyDAIBDNZKTLMQQC-UHFFFAOYSA-N
XLogP5.71
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.85
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541353
4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541455
4-N-(3-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541507
4-N-(3-chloro-2-methylphenyl)-6-cyclohexyloxypyrimidine-4,5-diamine
CID 22545500
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503
4-N-(3-chloro-2-methylphenyl)-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22545421
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
4-N-(3-chloro-2-methylphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545302
4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22545331
6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 22545479
4-N-(2,5-dichlorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141921
N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide
CID 22541478

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine (CID 22541350) is 4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine is Cc1c(Cl)cccc1Nc1ncnc(Oc2cccc3ccccc23)c1N.
What is the InChIKey of 4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The InChIKey is DAIBDNZKTLMQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13-16(22)9-5-10-17(13)26-20-19(23)21(25-12-24-20)27-18-11-4-7-14-6-2-3-8-15(14)18/h2-12H,23H2,1H3,(H,24,25,26).
What are the key properties of 4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine has a molecular weight of 376.85 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 22541350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).