5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine

C22H15FN6O2 — CID 86030537

IUPAC5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2cccc(-c3ncco3)c2)nc1Nc1cccc(-c2ncco2)c1
InChIInChI=1S/C22H15FN6O2/c23-18-13-26-22(28-17-6-2-4-15(12-17)21-25-8-10-31-21)29-19(18)27-16-5-1-3-14(11-16)20-24-7-9-30-20/h1-13H,(H2,26,27,28,29)
InChIKeyMSCURAOFASUUIH-UHFFFAOYSA-N
MW414.40 g/mol
LogP5.41
Rot. Bonds6

About 5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine

5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 86030537) has the molecular formula C22H15FN6O2 and a molecular weight of 414.40 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine
PubChem CID86030537
Molecular FormulaC22H15FN6O2
Molecular Weight414.40 g/mol
Exact Mass414.12
IUPAC Name5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2cccc(-c3ncco3)c2)nc1Nc1cccc(-c2ncco2)c1
InChIInChI=1S/C22H15FN6O2/c23-18-13-26-22(28-17-6-2-4-15(12-17)21-25-8-10-31-21)29-19(18)27-16-5-1-3-14(11-16)20-24-7-9-30-20/h1-13H,(H2,26,27,28,29)
InChIKeyMSCURAOFASUUIH-UHFFFAOYSA-N
XLogP5.41
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.40
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
CID 66759549
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
5-iodo-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidin-4-amine
CID 101205558
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine
CID 53477344
2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine
CID 162195368
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 22060410
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423
4-N-(3-aminophenyl)-5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 163280558

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine (CID 86030537) is 5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine is Fc1cnc(Nc2cccc(-c3ncco3)c2)nc1Nc1cccc(-c2ncco2)c1.
What is the InChIKey of 5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is MSCURAOFASUUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O2/c23-18-13-26-22(28-17-6-2-4-15(12-17)21-25-8-10-31-21)29-19(18)27-16-5-1-3-14(11-16)20-24-7-9-30-20/h1-13H,(H2,26,27,28,29).
What are the key properties of 5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 414.40 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 86030537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).