2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine

C14H21N5O — CID 81346629

IUPAC2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine
SMILESCc1cc(Oc2nc(C(C)(C)C)nc(N)c2C)n(C)n1
InChIInChI=1S/C14H21N5O/c1-8-7-10(19(6)18-8)20-12-9(2)11(15)16-13(17-12)14(3,4)5/h7H,1-6H3,(H2,15,16,17)
InChIKeyBOMIVYGLQIWBBR-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.50
Rot. Bonds2

About 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine

2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine (PubChem CID 81346629) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine
PubChem CID81346629
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine
SMILESCc1cc(Oc2nc(C(C)(C)C)nc(N)c2C)n(C)n1
InChIInChI=1S/C14H21N5O/c1-8-7-10(19(6)18-8)20-12-9(2)11(15)16-13(17-12)14(3,4)5/h7H,1-6H3,(H2,15,16,17)
InChIKeyBOMIVYGLQIWBBR-UHFFFAOYSA-N
XLogP2.50
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dulcerozine
CID 87753
Pyrimidine, 4-methoxy-6-(5-methoxy-3-methylpyrazol-1-yl)-2-methyl-
CID 211219
3-Ethyl-5-methyl-7-propoxypyrazolo[1,5-a]pyrimidine
CID 44317958
2-Amino-4-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-5-methylpyrimidine
CID 12056711
2-Iodo-6-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-5-methylpyrimidine
CID 12056712
2-Chloro-6-methyl-4-(1-methyl-3-trifluoromethyl-5-pyrazolyloxy)pyrimidine
CID 53771522
5-Methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
CID 141107683
4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine
CID 81345942
4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine
CID 81345946
4-(2,5-Dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-amine
CID 81346406
4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine
CID 81346796
4-Chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766830

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine (CID 81346629) is 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine is Cc1cc(Oc2nc(C(C)(C)C)nc(N)c2C)n(C)n1.
What is the InChIKey of 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine?
The InChIKey is BOMIVYGLQIWBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-8-7-10(19(6)18-8)20-12-9(2)11(15)16-13(17-12)14(3,4)5/h7H,1-6H3,(H2,15,16,17).
What are the key properties of 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine?
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 81346629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).