6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine

C21H27N7 — CID 126895778

IUPAC6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(Cc4cc5n(n4)CCC5)CC3)cc12
InChIInChI=1S/C21H27N7/c1-25(2)21-19-13-17(5-6-20(19)22-15-23-21)27-10-8-26(9-11-27)14-16-12-18-4-3-7-28(18)24-16/h5-6,12-13,15H,3-4,7-11,14H2,1-2H3
InChIKeyRIVMVJGULHVPON-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.16
Rot. Bonds4

About 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine

6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine (PubChem CID 126895778) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
PubChem CID126895778
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC Name6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(Cc4cc5n(n4)CCC5)CC3)cc12
InChIInChI=1S/C21H27N7/c1-25(2)21-19-13-17(5-6-20(19)22-15-23-21)27-10-8-26(9-11-27)14-16-12-18-4-3-7-28(18)24-16/h5-6,12-13,15H,3-4,7-11,14H2,1-2H3
InChIKeyRIVMVJGULHVPON-UHFFFAOYSA-N
XLogP2.16
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine with MolForge

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Related Compounds

6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894751
N,N-dimethyl-6-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895844
6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895765
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
N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895850
7-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]azepan-2-one
CID 126895768
N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716
1-[2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]ethyl]azepan-2-one
CID 126895890
4-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126895783
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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine (CID 126895778) is 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine is CN(C)c1ncnc2ccc(N3CCN(Cc4cc5n(n4)CCC5)CC3)cc12.
What is the InChIKey of 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The InChIKey is RIVMVJGULHVPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7/c1-25(2)21-19-13-17(5-6-20(19)22-15-23-21)27-10-8-26(9-11-27)14-16-12-18-4-3-7-28(18)24-16/h5-6,12-13,15H,3-4,7-11,14H2,1-2H3.
What are the key properties of 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine has a molecular weight of 377.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 126895778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).