5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C18H20ClN5OS — CID 143513310

IUPAC5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)Nc1nc(-c2ccc(C)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C18H20ClN5OS/c1-4-9(3)22-18-23-14(10-6-5-8(2)11(19)7-10)12-13(20)15(16(21)25)26-17(12)24-18/h5-7,9H,4,20H2,1-3H3,(H2,21,25)(H,22,23,24)
InChIKeySCKRGWYHACDTQO-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.21
Rot. Bonds5

About 5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 143513310) has the molecular formula C18H20ClN5OS and a molecular weight of 389.91 g/mol. Its IUPAC name is 5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID143513310
Molecular FormulaC18H20ClN5OS
Molecular Weight389.91 g/mol
Exact Mass389.11
IUPAC Name5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)Nc1nc(-c2ccc(C)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C18H20ClN5OS/c1-4-9(3)22-18-23-14(10-6-5-8(2)11(19)7-10)12-13(20)15(16(21)25)26-17(12)24-18/h5-7,9H,4,20H2,1-3H3,(H2,21,25)(H,22,23,24)
InChIKeySCKRGWYHACDTQO-UHFFFAOYSA-N
XLogP4.21
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)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-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 143513310) is 5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is CCC(C)Nc1nc(-c2ccc(C)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SCKRGWYHACDTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5OS/c1-4-9(3)22-18-23-14(10-6-5-8(2)11(19)7-10)12-13(20)15(16(21)25)26-17(12)24-18/h5-7,9H,4,20H2,1-3H3,(H2,21,25)(H,22,23,24).
What are the key properties of 5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 389.91 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143513310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).