4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C13H15ClN4OS — CID 95507192

IUPAC4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)sc2nc(NC3CC3)nc(Cl)c12
InChIInChI=1S/C13H15ClN4OS/c1-6-8-10(14)16-13(15-7-4-5-7)17-11(8)20-9(6)12(19)18(2)3/h7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyCHXZZOZBDMFLQH-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.93
Rot. Bonds3

About 4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 95507192) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID95507192
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)sc2nc(NC3CC3)nc(Cl)c12
InChIInChI=1S/C13H15ClN4OS/c1-6-8-10(14)16-13(15-7-4-5-7)17-11(8)20-9(6)12(19)18(2)3/h7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyCHXZZOZBDMFLQH-UHFFFAOYSA-N
XLogP2.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 95507192) is 4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)C)sc2nc(NC3CC3)nc(Cl)c12.
What is the InChIKey of 4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CHXZZOZBDMFLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-6-8-10(14)16-13(15-7-4-5-7)17-11(8)20-9(6)12(19)18(2)3/h7H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 95507192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).