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

C20H15N7O — CID 15980286

IUPAC4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESc1cc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)cc(-c2cnco2)c1
InChIInChI=1S/C20H15N7O/c1-3-13(18-11-21-12-28-18)9-14(4-1)24-20-22-8-7-19(26-20)25-16-5-2-6-17-15(16)10-23-27-17/h1-12H,(H,23,27)(H2,22,24,25,26)
InChIKeyIBRDPZFULGGRPV-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.50
Rot. Bonds5

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

4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 15980286) has the molecular formula C20H15N7O and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
PubChem CID15980286
Molecular FormulaC20H15N7O
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESc1cc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)cc(-c2cnco2)c1
InChIInChI=1S/C20H15N7O/c1-3-13(18-11-21-12-28-18)9-14(4-1)24-20-22-8-7-19(26-20)25-16-5-2-6-17-15(16)10-23-27-17/h1-12H,(H,23,27)(H2,22,24,25,26)
InChIKeyIBRDPZFULGGRPV-UHFFFAOYSA-N
XLogP4.50
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine (CID 15980286) is 4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine is c1cc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)cc(-c2cnco2)c1.
What is the InChIKey of 4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is IBRDPZFULGGRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O/c1-3-13(18-11-21-12-28-18)9-14(4-1)24-20-22-8-7-19(26-20)25-16-5-2-6-17-15(16)10-23-27-17/h1-12H,(H,23,27)(H2,22,24,25,26).
What are the key properties of 4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 369.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-4-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 15980286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).