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

C20H24N6O — CID 112898327

IUPACN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2nccc(N3CCN(c4cccc(C)c4C)CC3)n2)no1
InChIInChI=1S/C20H24N6O/c1-14-5-4-6-17(16(14)3)25-9-11-26(12-10-25)19-7-8-21-20(23-19)22-18-13-15(2)27-24-18/h4-8,13H,9-12H2,1-3H3,(H,21,22,23,24)
InChIKeyWBQWLVIHIRQGKT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.46
Rot. Bonds4

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

N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 112898327) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID112898327
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(Nc2nccc(N3CCN(c4cccc(C)c4C)CC3)n2)no1
InChIInChI=1S/C20H24N6O/c1-14-5-4-6-17(16(14)3)25-9-11-26(12-10-25)19-7-8-21-20(23-19)22-18-13-15(2)27-24-18/h4-8,13H,9-12H2,1-3H3,(H,21,22,23,24)
InChIKeyWBQWLVIHIRQGKT-UHFFFAOYSA-N
XLogP3.46
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204902
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 59757824
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
CID 3235051
N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91892569
US8962609, Dmx-25
CID 56645422
5-Methyl-3-[[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 53571335
3,5-Dimethyl-4-[[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 53617095
1-(5-Methyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea
CID 162662256
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea
CID 162665867
N-(2-pyridin-4-ylquinazolin-4-yl)-1,2-oxazol-3-amine
CID 71295994
4-[4-(3-Methylphenyl)piperazin-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine
CID 91892615
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]urea
CID 51001353

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine (CID 112898327) is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine is Cc1cc(Nc2nccc(N3CCN(c4cccc(C)c4C)CC3)n2)no1.
What is the InChIKey of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is WBQWLVIHIRQGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-5-4-6-17(16(14)3)25-9-11-26(12-10-25)19-7-8-21-20(23-19)22-18-13-15(2)27-24-18/h4-8,13H,9-12H2,1-3H3,(H,21,22,23,24).
What are the key properties of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine?
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 364.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 112898327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).