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

C20H15N7O — CID 126962207

IUPAC4-N-(1H-indazol-4-yl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESc1cc(Nc2ccnc(Nc3ccc(-c4cnco4)cc3)n2)c2cn[nH]c2c1
InChIInChI=1S/C20H15N7O/c1-2-16(15-10-23-27-17(15)3-1)25-19-8-9-22-20(26-19)24-14-6-4-13(5-7-14)18-11-21-12-28-18/h1-12H,(H,23,27)(H2,22,24,25,26)
InChIKeyAQAOQFBYQPAJHL-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.50
Rot. Bonds5

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

4-N-(1H-indazol-4-yl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 126962207) 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-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-4-yl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
PubChem CID126962207
Molecular FormulaC20H15N7O
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name4-N-(1H-indazol-4-yl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESc1cc(Nc2ccnc(Nc3ccc(-c4cnco4)cc3)n2)c2cn[nH]c2c1
InChIInChI=1S/C20H15N7O/c1-2-16(15-10-23-27-17(15)3-1)25-19-8-9-22-20(26-19)24-14-6-4-13(5-7-14)18-11-21-12-28-18/h1-12H,(H,23,27)(H2,22,24,25,26)
InChIKeyAQAOQFBYQPAJHL-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-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-4-yl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine (CID 126962207) is 4-N-(1H-indazol-4-yl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-4-yl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-4-yl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine is c1cc(Nc2ccnc(Nc3ccc(-c4cnco4)cc3)n2)c2cn[nH]c2c1.
What is the InChIKey of 4-N-(1H-indazol-4-yl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is AQAOQFBYQPAJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O/c1-2-16(15-10-23-27-17(15)3-1)25-19-8-9-22-20(26-19)24-14-6-4-13(5-7-14)18-11-21-12-28-18/h1-12H,(H,23,27)(H2,22,24,25,26).
What are the key properties of 4-N-(1H-indazol-4-yl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
4-N-(1H-indazol-4-yl)-2-N-[4-(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-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126962207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).