2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine

C12H20N4O2S — CID 80934599

IUPAC2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC2(C)CCS(=O)(=O)C2)n1
InChIInChI=1S/C12H20N4O2S/c1-4-9-14-10(13-3)7-11(15-9)16-12(2)5-6-19(17,18)8-12/h7H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyJOIPAQSXHDPGHY-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.07
Rot. Bonds4

About 2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine

2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 80934599) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
PubChem CID80934599
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC2(C)CCS(=O)(=O)C2)n1
InChIInChI=1S/C12H20N4O2S/c1-4-9-14-10(13-3)7-11(15-9)16-12(2)5-6-19(17,18)8-12/h7H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyJOIPAQSXHDPGHY-UHFFFAOYSA-N
XLogP1.07
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 80934530
2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 80957351
6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 80902625
6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-nitropyridin-2-amine
CID 114070830
2-ethyl-6-methyl-N-(1-methylcyclopropyl)pyrimidin-4-amine
CID 130512707
6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine
CID 80813241
6-[(3-methyl-1,1-dioxothiolan-3-yl)amino]pyridine-2-carbothioamide
CID 64590243
5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250571
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021
4-ethyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 51642152
1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine
CID 106566002

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine (CID 80934599) is 2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine is CCc1nc(NC)cc(NC2(C)CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is JOIPAQSXHDPGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-4-9-14-10(13-3)7-11(15-9)16-12(2)5-6-19(17,18)8-12/h7H,4-6,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 284.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80934599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).