2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine

C19H23N7 — CID 133489031

IUPAC2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine
SMILESCc1cc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)nnc1C
InChIInChI=1S/C19H23N7/c1-13-11-18(24-23-14(13)2)26-9-7-25(8-10-26)12-17-21-16-6-4-3-5-15(16)19(20)22-17/h3-6,11H,7-10,12H2,1-2H3,(H2,20,21,22)
InChIKeyFHXOJNOCPSQRKF-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.94
Rot. Bonds3

About 2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine

2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine (PubChem CID 133489031) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine
PubChem CID133489031
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine
SMILESCc1cc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)nnc1C
InChIInChI=1S/C19H23N7/c1-13-11-18(24-23-14(13)2)26-9-7-25(8-10-26)12-17-21-16-6-4-3-5-15(16)19(20)22-17/h3-6,11H,7-10,12H2,1-2H3,(H2,20,21,22)
InChIKeyFHXOJNOCPSQRKF-UHFFFAOYSA-N
XLogP1.94
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333655
2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 71850438
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine
CID 115304884
1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
CID 80702487
2-[[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 30648593
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
cis-(1R,3S)-3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065822
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 37132587
2-[(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 133333627
2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333574
2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 43039484

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine (CID 133489031) is 2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine is Cc1cc(N2CCN(Cc3nc(N)c4ccccc4n3)CC2)nnc1C.
What is the InChIKey of 2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is FHXOJNOCPSQRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-13-11-18(24-23-14(13)2)26-9-7-25(8-10-26)12-17-21-16-6-4-3-5-15(16)19(20)22-17/h3-6,11H,7-10,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine?
2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 133489031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).