4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide

C15H17N5OS — CID 58014800

IUPAC4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide
SMILESCSc1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
InChIInChI=1S/C15H17N5OS/c1-22-11-6-4-10(5-7-11)19-15-17-8-12(13(16)21)14(20-15)18-9-2-3-9/h4-9H,2-3H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyBGGSICXOTGWBQN-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.62
Rot. Bonds6

About 4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide

4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide (PubChem CID 58014800) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide
PubChem CID58014800
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide
SMILESCSc1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
InChIInChI=1S/C15H17N5OS/c1-22-11-6-4-10(5-7-11)19-15-17-8-12(13(16)21)14(20-15)18-9-2-3-9/h4-9H,2-3H2,1H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyBGGSICXOTGWBQN-UHFFFAOYSA-N
XLogP2.62
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide (CID 58014800) is 4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide is CSc1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1.
What is the InChIKey of 4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide?
The InChIKey is BGGSICXOTGWBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-22-11-6-4-10(5-7-11)19-15-17-8-12(13(16)21)14(20-15)18-9-2-3-9/h4-9H,2-3H2,1H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-(4-methylsulfanylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 58014800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).