4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide

C9H16N4O2S — CID 142928849

IUPAC4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide
SMILESCCSC1N=C(N)C(C(=O)N(C)OC)=CN1
InChIInChI=1S/C9H16N4O2S/c1-4-16-9-11-5-6(7(10)12-9)8(14)13(2)15-3/h5,9,11H,4H2,1-3H3,(H2,10,12)
InChIKeyNPHIPGNUZOFXCF-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.11
Rot. Bonds4

About 4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide

4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide (PubChem CID 142928849) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide
PubChem CID142928849
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide
SMILESCCSC1N=C(N)C(C(=O)N(C)OC)=CN1
InChIInChI=1S/C9H16N4O2S/c1-4-16-9-11-5-6(7(10)12-9)8(14)13(2)15-3/h5,9,11H,4H2,1-3H3,(H2,10,12)
InChIKeyNPHIPGNUZOFXCF-UHFFFAOYSA-N
XLogP-0.11
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-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 4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide (CID 142928849) is 4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide is CCSC1N=C(N)C(C(=O)N(C)OC)=CN1.
What is the InChIKey of 4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide?
The InChIKey is NPHIPGNUZOFXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-4-16-9-11-5-6(7(10)12-9)8(14)13(2)15-3/h5,9,11H,4H2,1-3H3,(H2,10,12).
What are the key properties of 4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide?
4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide has a molecular weight of 244.32 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethylsulfanyl-N-methoxy-N-methyl-1,2-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 142928849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).