6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine

C11H11N7O — CID 22540634

IUPAC6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
SMILESCc1cc(Nc2ncnc(-n3ccnc3)c2N)no1
InChIInChI=1S/C11H11N7O/c1-7-4-8(17-19-7)16-10-9(12)11(15-5-14-10)18-3-2-13-6-18/h2-6H,12H2,1H3,(H,14,15,16,17)
InChIKeyFHLHFMILCRGHSY-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.28
Rot. Bonds3

About 6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine

6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine (PubChem CID 22540634) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
PubChem CID22540634
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
SMILESCc1cc(Nc2ncnc(-n3ccnc3)c2N)no1
InChIInChI=1S/C11H11N7O/c1-7-4-8(17-19-7)16-10-9(12)11(15-5-14-10)18-3-2-13-6-18/h2-6H,12H2,1H3,(H,14,15,16,17)
InChIKeyFHLHFMILCRGHSY-UHFFFAOYSA-N
XLogP1.28
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540408
6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540535
4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540452
6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150162
4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
CID 22544226
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22540440
6-imidazol-1-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148557
ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate
CID 22540622
6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150870
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540447
6-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540413
4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
CID 19146187

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine (CID 22540634) is 6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine is Cc1cc(Nc2ncnc(-n3ccnc3)c2N)no1.
What is the InChIKey of 6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The InChIKey is FHLHFMILCRGHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c1-7-4-8(17-19-7)16-10-9(12)11(15-5-14-10)18-3-2-13-6-18/h2-6H,12H2,1H3,(H,14,15,16,17).
What are the key properties of 6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine has a molecular weight of 257.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22540634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).