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

C13H20N4O2S — CID 80957351

IUPAC2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC2(C)CCS(=O)(=O)C2)nc(C2CC2)n1
InChIInChI=1S/C13H20N4O2S/c1-13(5-6-20(18,19)8-13)17-11-7-10(14-2)15-12(16-11)9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyFBJOONCQEBLOGB-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.38
Rot. Bonds4

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

2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 80957351) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
PubChem CID80957351
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC2(C)CCS(=O)(=O)C2)nc(C2CC2)n1
InChIInChI=1S/C13H20N4O2S/c1-13(5-6-20(18,19)8-13)17-11-7-10(14-2)15-12(16-11)9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyFBJOONCQEBLOGB-UHFFFAOYSA-N
XLogP1.38
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 80934530
6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 80902625
2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80967565
6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine
CID 115875734
6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80958988
1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80958761
[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
CID 80958535
6-[(3-methyl-1,1-dioxothiolan-3-yl)amino]pyridine-2-carbothioamide
CID 64590243
4-fluoro-5-methyl-1-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,2-diamine
CID 103590227
2-(1,1-dioxothiolan-3-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 115337211
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine (CID 80957351) is 2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine is CNc1cc(NC2(C)CCS(=O)(=O)C2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is FBJOONCQEBLOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-13(5-6-20(18,19)8-13)17-11-7-10(14-2)15-12(16-11)9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 296.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80957351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).