N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine

C21H28N6O — CID 126895850

IUPACN,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
SMILESCC(C)c1cnc(CN2CCN(c3ccc4ncnc(N(C)C)c4c3)CC2)o1
InChIInChI=1S/C21H28N6O/c1-15(2)19-12-22-20(28-19)13-26-7-9-27(10-8-26)16-5-6-18-17(11-16)21(25(3)4)24-14-23-18/h5-6,11-12,14-15H,7-10,13H2,1-4H3
InChIKeyCSRWHYMDKDYBOQ-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.13
Rot. Bonds5

About N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine

N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine (PubChem CID 126895850) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
PubChem CID126895850
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC NameN,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
SMILESCC(C)c1cnc(CN2CCN(c3ccc4ncnc(N(C)C)c4c3)CC2)o1
InChIInChI=1S/C21H28N6O/c1-15(2)19-12-22-20(28-19)13-26-7-9-27(10-8-26)16-5-6-18-17(11-16)21(25(3)4)24-14-23-18/h5-6,11-12,14-15H,7-10,13H2,1-4H3
InChIKeyCSRWHYMDKDYBOQ-UHFFFAOYSA-N
XLogP3.13
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-6-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895844
6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895865
N,N-dimethyl-6-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895875
4-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126895783
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
3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897487
N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716
6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895765
3-(2,2-difluoroethyl)-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898139
N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
CID 126895928

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine (CID 126895850) is N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine is CC(C)c1cnc(CN2CCN(c3ccc4ncnc(N(C)C)c4c3)CC2)o1.
What is the InChIKey of N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine?
The InChIKey is CSRWHYMDKDYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-15(2)19-12-22-20(28-19)13-26-7-9-27(10-8-26)16-5-6-18-17(11-16)21(25(3)4)24-14-23-18/h5-6,11-12,14-15H,7-10,13H2,1-4H3.
What are the key properties of N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine?
N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine has a molecular weight of 380.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 126895850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).