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

C21H17N7O — CID 15980410

IUPAC4-N-(1H-indazol-4-yl)-2-N-[3-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESCc1ncoc1-c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
InChIInChI=1S/C21H17N7O/c1-13-20(29-12-23-13)14-4-2-5-15(10-14)25-21-22-9-8-19(27-21)26-17-6-3-7-18-16(17)11-24-28-18/h2-12H,1H3,(H,24,28)(H2,22,25,26,27)
InChIKeyMLMIHJNXUHZLBH-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.80
Rot. Bonds5

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

4-N-(1H-indazol-4-yl)-2-N-[3-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 15980410) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is 4-N-(1H-indazol-4-yl)-2-N-[3-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-4-yl)-2-N-[3-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
PubChem CID15980410
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name4-N-(1H-indazol-4-yl)-2-N-[3-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESCc1ncoc1-c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
InChIInChI=1S/C21H17N7O/c1-13-20(29-12-23-13)14-4-2-5-15(10-14)25-21-22-9-8-19(27-21)26-17-6-3-7-18-16(17)11-24-28-18/h2-12H,1H3,(H,24,28)(H2,22,25,26,27)
InChIKeyMLMIHJNXUHZLBH-UHFFFAOYSA-N
XLogP4.80
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.80
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-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-4-yl)-2-N-[3-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine (CID 15980410) is 4-N-(1H-indazol-4-yl)-2-N-[3-(4-methyl-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-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-4-yl)-2-N-[3-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine is Cc1ncoc1-c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1.
What is the InChIKey of 4-N-(1H-indazol-4-yl)-2-N-[3-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is MLMIHJNXUHZLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O/c1-13-20(29-12-23-13)14-4-2-5-15(10-14)25-21-22-9-8-19(27-21)26-17-6-3-7-18-16(17)11-24-28-18/h2-12H,1H3,(H,24,28)(H2,22,25,26,27).
What are the key properties of 4-N-(1H-indazol-4-yl)-2-N-[3-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
4-N-(1H-indazol-4-yl)-2-N-[3-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 383.42 g/mol, XLogP of 4.80, 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-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 15980410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).