2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine

C22H16N6O — CID 20826974

IUPAC2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESc1ccc2ncc(Nc3ccnc(Nc4ccc(-c5cnco5)cc4)n3)cc2c1
InChIInChI=1S/C22H16N6O/c1-2-4-19-16(3-1)11-18(12-25-19)26-21-9-10-24-22(28-21)27-17-7-5-15(6-8-17)20-13-23-14-29-20/h1-14H,(H2,24,26,27,28)
InChIKeyCKNIQYFYJOHVAG-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.17
Rot. Bonds5

About 2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine

2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine (PubChem CID 20826974) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
PubChem CID20826974
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESc1ccc2ncc(Nc3ccnc(Nc4ccc(-c5cnco5)cc4)n3)cc2c1
InChIInChI=1S/C22H16N6O/c1-2-4-19-16(3-1)11-18(12-25-19)26-21-9-10-24-22(28-21)27-17-7-5-15(6-8-17)20-13-23-14-29-20/h1-14H,(H2,24,26,27,28)
InChIKeyCKNIQYFYJOHVAG-UHFFFAOYSA-N
XLogP5.17
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

6-(Oxazol-5-yl)-3-(4-piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
CID 58266579
(1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 162625321
2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidophenyl)pyrazine
CID 11574273
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-(oxazol-2-yl)phenyl)pyridin-2(1H)-one
CID 24879368
N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
CID 44531688
(4-Benzyloxy-phenyl)-(6-(5-(pyridin-3-ylaminomethyl)-furan-2-yl)-pyrido[3,4-d]pyrimidin-4-yl)-amine
CID 44531689
2-((5-(4-(4-(Benzyloxy)phenylamino)pyrido[3,4-d]pyrimidin-6-yl)furan-2-yl)methylamino)acetic acid
CID 44585507
Methyl 2-((5-(4-(4-(benzyloxy)phenylamino)pyrido[3,4-d]pyrimidin-6-yl)furan-2-yl)methylamino)acetate
CID 44585537
[2-Methoxy-6-(3-oxazol-5-yl-phenyl)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53324534
1-[4-Methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121255719
2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
CID 121255746
2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
CID 121255769

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine (CID 20826974) is 2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine is c1ccc2ncc(Nc3ccnc(Nc4ccc(-c5cnco5)cc4)n3)cc2c1.
What is the InChIKey of 2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The InChIKey is CKNIQYFYJOHVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c1-2-4-19-16(3-1)11-18(12-25-19)26-21-9-10-24-22(28-21)27-17-7-5-15(6-8-17)20-13-23-14-29-20/h1-14H,(H2,24,26,27,28).
What are the key properties of 2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine has a molecular weight of 380.41 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 20826974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).