2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine

C23H22ClN3O2S — CID 172629555

IUPAC2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc3sc(C)cc3nc2Cl)cc1
InChIInChI=1S/C23H22ClN3O2S/c1-15-12-20-23(30-15)26-22(21(24)25-20)27(13-16-4-8-18(28-2)9-5-16)14-17-6-10-19(29-3)11-7-17/h4-12H,13-14H2,1-3H3
InChIKeyADFCKDNLSGLKRH-UHFFFAOYSA-N
MW439.97 g/mol
LogP5.88
Rot. Bonds7

About 2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine

2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine (PubChem CID 172629555) has the molecular formula C23H22ClN3O2S and a molecular weight of 439.97 g/mol. Its IUPAC name is 2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine.

Molecular Properties

Compound Name2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine
PubChem CID172629555
Molecular FormulaC23H22ClN3O2S
Molecular Weight439.97 g/mol
Exact Mass439.11
IUPAC Name2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc3sc(C)cc3nc2Cl)cc1
InChIInChI=1S/C23H22ClN3O2S/c1-15-12-20-23(30-15)26-22(21(24)25-20)27(13-16-4-8-18(28-2)9-5-16)14-17-6-10-19(29-3)11-7-17/h4-12H,13-14H2,1-3H3
InChIKeyADFCKDNLSGLKRH-UHFFFAOYSA-N
XLogP5.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.97
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
6-chloro-5-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 170733731
2-[bis[(4-methoxyphenyl)methyl]amino]-3-chloroquinoline-7-thiol
CID 138688085
4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548209
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
4-bromo-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 170357029
5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
CID 169171407
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 16567687
4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine;6-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine
CID 158014813
ethyl N-[2-[bis[(4-methoxyphenyl)methyl]amino]-6-chloro-3-nitro-4-pyridinyl]carbamate
CID 171429787
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
CID 164934740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine?
The IUPAC name of 2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine (CID 172629555) is 2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine.
What is the SMILES notation for 2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine?
The canonical SMILES for 2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3sc(C)cc3nc2Cl)cc1.
What is the InChIKey of 2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine?
The InChIKey is ADFCKDNLSGLKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2S/c1-15-12-20-23(30-15)26-22(21(24)25-20)27(13-16-4-8-18(28-2)9-5-16)14-17-6-10-19(29-3)11-7-17/h4-12H,13-14H2,1-3H3.
What are the key properties of 2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine?
2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine has a molecular weight of 439.97 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyrazin-3-amine is sourced from PubChem (CID 172629555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).