2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine

C38H59N9OS — CID 160685224

IUPAC2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1ccnc(N)c1.CC(C)c1cnc(N)nc1.Cc1cc(C(C)C)cc(N)n1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1
InChIInChI=1S/C9H14N2.C8H12N2.C7H11N3.C7H11NO.C7H11NS/c1-6(2)8-4-7(3)11-9(10)5-8;1-6(2)7-3-4-10-8(9)5-7;1-5(2)6-3-9-7(8)10-4-6;2*1-5(2)7-4-8-6(3)9-7/h4-6H,1-3H3,(H2,10,11);3-6H,1-2H3,(H2,9,10);3-5H,1-2H3,(H2,8,9,10);2*4-5H,1-3H3
InChIKeyRORDOAULJMMAOH-UHFFFAOYSA-N
MW690.02 g/mol
LogP9.75
Rot. Bonds5

About 2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine

2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine (PubChem CID 160685224) has the molecular formula C38H59N9OS and a molecular weight of 690.02 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine
PubChem CID160685224
Molecular FormulaC38H59N9OS
Molecular Weight690.02 g/mol
Exact Mass689.46
IUPAC Name2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1ccnc(N)c1.CC(C)c1cnc(N)nc1.Cc1cc(C(C)C)cc(N)n1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1
InChIInChI=1S/C9H14N2.C8H12N2.C7H11N3.C7H11NO.C7H11NS/c1-6(2)8-4-7(3)11-9(10)5-8;1-6(2)7-3-4-10-8(9)5-7;1-5(2)6-3-9-7(8)10-4-6;2*1-5(2)7-4-8-6(3)9-7/h4-6H,1-3H3,(H2,10,11);3-6H,1-2H3,(H2,9,10);3-5H,1-2H3,(H2,8,9,10);2*4-5H,1-3H3
InChIKeyRORDOAULJMMAOH-UHFFFAOYSA-N
XLogP9.75
TPSA168.54 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500690.02
LogP ≤ 59.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-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

2-(1,3-Oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274620
2-(1,3-Oxazol-5-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274622
2-(1,3-Oxazol-5-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 68587257
2-(1,3-Oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 68587578
2-(1,3-Oxazol-5-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 68605447
2-(1,3-Oxazol-2-yl)-6-(1-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 68608634
2-(1,3-Oxazol-2-yl)-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 68608636
N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 69280633
Ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976521
Methane;6-methyl-4-propan-2-ylpyridin-2-amine;5-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1,3-thiazol-2-amine
CID 157371957
2-Propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157675158
2,5-Di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 158049489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine (CID 160685224) is 2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine is CC(C)c1ccnc(N)c1.CC(C)c1cnc(N)nc1.Cc1cc(C(C)C)cc(N)n1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine?
The InChIKey is RORDOAULJMMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C8H12N2.C7H11N3.C7H11NO.C7H11NS/c1-6(2)8-4-7(3)11-9(10)5-8;1-6(2)7-3-4-10-8(9)5-7;1-5(2)6-3-9-7(8)10-4-6;2*1-5(2)7-4-8-6(3)9-7/h4-6H,1-3H3,(H2,10,11);3-6H,1-2H3,(H2,9,10);3-5H,1-2H3,(H2,8,9,10);2*4-5H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine?
2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine has a molecular weight of 690.02 g/mol, XLogP of 9.75, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1,3-oxazole;6-methyl-4-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-yl-1,3-thiazole;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 160685224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).