2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine

C20H21F2N5O2S — CID 133333574

IUPAC2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)nc2ccccc12
InChIInChI=1S/C20H21F2N5O2S/c21-20(22)30(28,29)15-7-5-14(6-8-15)27-11-9-26(10-12-27)13-18-24-17-4-2-1-3-16(17)19(23)25-18/h1-8,20H,9-13H2,(H2,23,24,25)
InChIKeyWSIUNIOZSVKDDE-UHFFFAOYSA-N
MW433.48 g/mol
LogP2.53
Rot. Bonds5

About 2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine

2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine (PubChem CID 133333574) has the molecular formula C20H21F2N5O2S and a molecular weight of 433.48 g/mol. Its IUPAC name is 2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine
PubChem CID133333574
Molecular FormulaC20H21F2N5O2S
Molecular Weight433.48 g/mol
Exact Mass433.14
IUPAC Name2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)nc2ccccc12
InChIInChI=1S/C20H21F2N5O2S/c21-20(22)30(28,29)15-7-5-14(6-8-15)27-11-9-26(10-12-27)13-18-24-17-4-2-1-3-16(17)19(23)25-18/h1-8,20H,9-13H2,(H2,23,24,25)
InChIKeyWSIUNIOZSVKDDE-UHFFFAOYSA-N
XLogP2.53
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 43039484
2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 17424498
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 71850438
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-naphthalen-1-ylethanone
CID 37132816
2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 133489031
2-[[4-[2-(methoxymethyl)-4-nitrophenyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333579
cis-(1R,3S)-3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065822
1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
CID 80702487
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 33120801

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine (CID 133333574) is 2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine is Nc1nc(CN2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is WSIUNIOZSVKDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2S/c21-20(22)30(28,29)15-7-5-14(6-8-15)27-11-9-26(10-12-27)13-18-24-17-4-2-1-3-16(17)19(23)25-18/h1-8,20H,9-13H2,(H2,23,24,25).
What are the key properties of 2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine?
2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 433.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 133333574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).