4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine

C21H22N6O — CID 31054215

IUPAC4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCCn1ncc(-c2ccnc(NCc3coc(-c4ccccc4)n3)n2)c1C
InChIInChI=1S/C21H22N6O/c1-3-11-27-15(2)18(13-24-27)19-9-10-22-21(26-19)23-12-17-14-28-20(25-17)16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,23,26)
InChIKeyDDDACNNHYKDEDJ-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.33
Rot. Bonds7

About 4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine

4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 31054215) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID31054215
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCCn1ncc(-c2ccnc(NCc3coc(-c4ccccc4)n3)n2)c1C
InChIInChI=1S/C21H22N6O/c1-3-11-27-15(2)18(13-24-27)19-9-10-22-21(26-19)23-12-17-14-28-20(25-17)16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,23,26)
InChIKeyDDDACNNHYKDEDJ-UHFFFAOYSA-N
XLogP4.33
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-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

4-[3-[4-[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]-N,N,1,3-tetramethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10506159
5-Phenyl-oxazole-4-carboxylic acid [1-(4-acetyl-oxazol-2-ylmethyl)-1H-pyrazol-3-yl]-amide
CID 42629962
N-[1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60161839
N-(1-(2-((4,6-dimethoxypyrimidin-2-yl)amino)ethyl)-1H-pyrazol-4-yl)-5-(m-tolyl)oxazole-4-carboxamide
CID 60161973
5-(3-methylphenyl)-N-[1-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 60162369
5-(3-methylphenyl)-N-[1-(2-quinazolin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 60162372
N-[1-[3-(4,6-dimethoxypyrimidin-2-yl)propyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60163538
1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 16191113
5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 28953542
N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(2-furyl)-1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-1H-pyrazole-4-carboxamide
CID 45167455
4-(1-methyl-4-(oxazol-2-yl)-1H-pyrazol-3-yl)-N-(4-morpholinophenyl)pyridin-2-amine
CID 54587542
2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-4-carboxamide
CID 16067542

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine (CID 31054215) is 4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine is CCCn1ncc(-c2ccnc(NCc3coc(-c4ccccc4)n3)n2)c1C.
What is the InChIKey of 4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is DDDACNNHYKDEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-3-11-27-15(2)18(13-24-27)19-9-10-22-21(26-19)23-12-17-14-28-20(25-17)16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,23,26).
What are the key properties of 4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine?
4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 374.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1-propylpyrazol-4-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 31054215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).