6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine

C21H26N6O — CID 126895865

IUPAC6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(Cc4cnoc4C4CC4)CC3)cc12
InChIInChI=1S/C21H26N6O/c1-25(2)21-18-11-17(5-6-19(18)22-14-23-21)27-9-7-26(8-10-27)13-16-12-24-28-20(16)15-3-4-15/h5-6,11-12,14-15H,3-4,7-10,13H2,1-2H3
InChIKeyRBKMAYYKIUHMRQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.88
Rot. Bonds5

About 6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine

6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine (PubChem CID 126895865) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
PubChem CID126895865
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(Cc4cnoc4C4CC4)CC3)cc12
InChIInChI=1S/C21H26N6O/c1-25(2)21-18-11-17(5-6-19(18)22-14-23-21)27-9-7-26(8-10-27)13-16-12-24-28-20(16)15-3-4-15/h5-6,11-12,14-15H,3-4,7-10,13H2,1-2H3
InChIKeyRBKMAYYKIUHMRQ-UHFFFAOYSA-N
XLogP2.88
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopropyl-4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126894838
4-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126895783
N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895850
N,N-dimethyl-6-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895844
N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716
N,N-dimethyl-6-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895875
N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895886
3-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126895764
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895778
7-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]azepan-2-one
CID 126895768
1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 126895881
1-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 126895625

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine (CID 126895865) is 6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine is CN(C)c1ncnc2ccc(N3CCN(Cc4cnoc4C4CC4)CC3)cc12.
What is the InChIKey of 6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The InChIKey is RBKMAYYKIUHMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25(2)21-18-11-17(5-6-19(18)22-14-23-21)27-9-7-26(8-10-27)13-16-12-24-28-20(16)15-3-4-15/h5-6,11-12,14-15H,3-4,7-10,13H2,1-2H3.
What are the key properties of 6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 126895865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).