6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine

C17H25N5S — CID 143828305

IUPAC6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine
SMILESCSCCNc1nc(N2CCN(C)CC2)nc2ccc(C)cc12
InChIInChI=1S/C17H25N5S/c1-13-4-5-15-14(12-13)16(18-6-11-23-3)20-17(19-15)22-9-7-21(2)8-10-22/h4-5,12H,6-11H2,1-3H3,(H,18,19,20)
InChIKeyAFMFHAQBNBZLIH-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.46
Rot. Bonds5

About 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine

6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine (PubChem CID 143828305) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine
PubChem CID143828305
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine
SMILESCSCCNc1nc(N2CCN(C)CC2)nc2ccc(C)cc12
InChIInChI=1S/C17H25N5S/c1-13-4-5-15-14(12-13)16(18-6-11-23-3)20-17(19-15)22-9-7-21(2)8-10-22/h4-5,12H,6-11H2,1-3H3,(H,18,19,20)
InChIKeyAFMFHAQBNBZLIH-UHFFFAOYSA-N
XLogP2.46
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 68941573
2-[[6-iodo-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]-N-phenylethanesulfonamide
CID 45379922
tert-butyl N-[2-[[2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-yl]amino]ethyl]carbamate
CID 71262240
6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178345
6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylquinazolin-4-amine
CID 25178132
2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]-N-(3-methylphenyl)ethanesulfonamide
CID 146309259
N-[2-(benzenesulfonyl)ethyl]-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 146309391
2-[[6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]ethanesulfinamide
CID 153396621
4-[4-(2-aminoethylamino)-6-methylquinazolin-2-yl]-3,5-dihydro-2H-1,4-benzothiazepin-2-ol
CID 123485751
tert-butyl N-[2-[[2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-6-methylquinazolin-4-yl]amino]ethyl]carbamate
CID 86691424
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinazolin-4-amine
CID 83277016
N-ethyl-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 53315450

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine?
The IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine (CID 143828305) is 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine.
What is the SMILES notation for 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine?
The canonical SMILES for 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine is CSCCNc1nc(N2CCN(C)CC2)nc2ccc(C)cc12.
What is the InChIKey of 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine?
The InChIKey is AFMFHAQBNBZLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-13-4-5-15-14(12-13)16(18-6-11-23-3)20-17(19-15)22-9-7-21(2)8-10-22/h4-5,12H,6-11H2,1-3H3,(H,18,19,20).
What are the key properties of 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine?
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine has a molecular weight of 331.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine is sourced from PubChem (CID 143828305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).