5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine

C16H18ClN5OS — CID 143513606

IUPAC5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine
SMILESCNC.CNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C=O)sc2n1
InChIInChI=1S/C14H11ClN4OS.C2H7N/c1-17-14-18-12(7-2-4-8(15)5-3-7)10-11(16)9(6-20)21-13(10)19-14;1-3-2/h2-6H,16H2,1H3,(H,17,18,19);3H,1-2H3
InChIKeyNSJVVPHEVVAIFV-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.28
Rot. Bonds3

About 5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine

5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine (PubChem CID 143513606) has the molecular formula C16H18ClN5OS and a molecular weight of 363.87 g/mol. Its IUPAC name is 5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine.

Molecular Properties

Compound Name5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine
PubChem CID143513606
Molecular FormulaC16H18ClN5OS
Molecular Weight363.87 g/mol
Exact Mass363.09
IUPAC Name5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine
SMILESCNC.CNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C=O)sc2n1
InChIInChI=1S/C14H11ClN4OS.C2H7N/c1-17-14-18-12(7-2-4-8(15)5-3-7)10-11(16)9(6-20)21-13(10)19-14;1-3-2/h2-6H,16H2,1H3,(H,17,18,19);3H,1-2H3
InChIKeyNSJVVPHEVVAIFV-UHFFFAOYSA-N
XLogP3.28
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde
CID 143513623
1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
CID 59647295
1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647364
5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24739451
5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24738661
[5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol
CID 143513636
5-amino-N-methyl-2-(methylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24738165
5-amino-4-(4-chlorophenyl)-2-(2-methoxyethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 69303095
5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24738982
5-amino-4-(4-chlorophenyl)-2-methylthieno[2,3-d]pyrimidine-6-carbothioic S-acid
CID 87957723
carbamoyl 5-amino-4-(2,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 90948503
5-(aminomethyl)-2-(cyclopropylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine
CID 143513305

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine?
The IUPAC name of 5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine (CID 143513606) is 5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine.
What is the SMILES notation for 5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine?
The canonical SMILES for 5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine is CNC.CNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C=O)sc2n1.
What is the InChIKey of 5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine?
The InChIKey is NSJVVPHEVVAIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS.C2H7N/c1-17-14-18-12(7-2-4-8(15)5-3-7)10-11(16)9(6-20)21-13(10)19-14;1-3-2/h2-6H,16H2,1H3,(H,17,18,19);3H,1-2H3.
What are the key properties of 5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine?
5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine has a molecular weight of 363.87 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine is sourced from PubChem (CID 143513606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).