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

C13H22N4O2S — CID 80934530

IUPAC6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2(C)CCS(=O)(=O)C2)nc(CC)n1
InChIInChI=1S/C13H22N4O2S/c1-4-10-15-11(14-5-2)8-12(16-10)17-13(3)6-7-20(18,19)9-13/h8H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyFYSCBXWTYMMZRL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.46
Rot. Bonds5

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

6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 80934530) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
PubChem CID80934530
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2(C)CCS(=O)(=O)C2)nc(CC)n1
InChIInChI=1S/C13H22N4O2S/c1-4-10-15-11(14-5-2)8-12(16-10)17-13(3)6-7-20(18,19)9-13/h8H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyFYSCBXWTYMMZRL-UHFFFAOYSA-N
XLogP1.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 80934599
2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 80957351
4-N-(1,1-dioxothian-4-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934204
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-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 62174844
[1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 80940619
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
CID 114071266
6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 113486283
6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine
CID 113491377
2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718695

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine (CID 80934530) is 6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine is CCNc1cc(NC2(C)CCS(=O)(=O)C2)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is FYSCBXWTYMMZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-10-15-11(14-5-2)8-12(16-10)17-13(3)6-7-20(18,19)9-13/h8H,4-7,9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 298.41 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80934530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).