2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine

C20H16ClN5O — CID 112938199

IUPAC2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(-c3ccccc3)nc(Nc3ccc(Cl)cc3)n2)no1
InChIInChI=1S/C20H16ClN5O/c1-13-11-19(26-27-13)24-18-12-17(14-5-3-2-4-6-14)23-20(25-18)22-16-9-7-15(21)8-10-16/h2-12H,1H3,(H2,22,23,24,25,26)
InChIKeyQZLQYFIEWWKZHD-UHFFFAOYSA-N
MW377.84 g/mol
LogP5.58
Rot. Bonds5

About 2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine

2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112938199) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112938199
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(-c3ccccc3)nc(Nc3ccc(Cl)cc3)n2)no1
InChIInChI=1S/C20H16ClN5O/c1-13-11-19(26-27-13)24-18-12-17(14-5-3-2-4-6-14)23-20(25-18)22-16-9-7-15(21)8-10-16/h2-12H,1H3,(H2,22,23,24,25,26)
InChIKeyQZLQYFIEWWKZHD-UHFFFAOYSA-N
XLogP5.58
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.84
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938159
2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112929887
4-N-(4-ethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938166
4-N-(4-ethoxyphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938237
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933893
4-N-(2,4-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938152
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936923
6-N-(4-chlorophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878057
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934408
2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935858
2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine
CID 58065252

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine (CID 112938199) is 2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2cc(-c3ccccc3)nc(Nc3ccc(Cl)cc3)n2)no1.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is QZLQYFIEWWKZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-13-11-19(26-27-13)24-18-12-17(14-5-3-2-4-6-14)23-20(25-18)22-16-9-7-15(21)8-10-16/h2-12H,1H3,(H2,22,23,24,25,26).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine?
2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 377.84 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112938199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).