5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C20H23FN6O2S — CID 71100955

IUPAC5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(Nc2ncnc3sc(C(=O)NCCN4CCOCC4)c(N)c23)ccc1F
InChIInChI=1S/C20H23FN6O2S/c1-12-10-13(2-3-14(12)21)26-18-15-16(22)17(30-20(15)25-11-24-18)19(28)23-4-5-27-6-8-29-9-7-27/h2-3,10-11H,4-9,22H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyNTGKQSFRPNURDY-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.53
Rot. Bonds6

About 5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 71100955) has the molecular formula C20H23FN6O2S and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID71100955
Molecular FormulaC20H23FN6O2S
Molecular Weight430.51 g/mol
Exact Mass430.16
IUPAC Name5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(Nc2ncnc3sc(C(=O)NCCN4CCOCC4)c(N)c23)ccc1F
InChIInChI=1S/C20H23FN6O2S/c1-12-10-13(2-3-14(12)21)26-18-15-16(22)17(30-20(15)25-11-24-18)19(28)23-4-5-27-6-8-29-9-7-27/h2-3,10-11H,4-9,22H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyNTGKQSFRPNURDY-UHFFFAOYSA-N
XLogP2.53
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 71100955) is 5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1cc(Nc2ncnc3sc(C(=O)NCCN4CCOCC4)c(N)c23)ccc1F.
What is the InChIKey of 5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NTGKQSFRPNURDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2S/c1-12-10-13(2-3-14(12)21)26-18-15-16(22)17(30-20(15)25-11-24-18)19(28)23-4-5-27-6-8-29-9-7-27/h2-3,10-11H,4-9,22H2,1H3,(H,23,28)(H,24,25,26).
What are the key properties of 5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-fluoro-3-methylanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71100955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).