N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine

C11H17N3O2S — CID 97210741

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine
SMILESCCc1cnc(NC[C@H]2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C11H17N3O2S/c1-2-9-5-12-11(13-6-9)14-7-10-3-4-17(15,16)8-10/h5-6,10H,2-4,7-8H2,1H3,(H,12,13,14)/t10-/m1/s1
InChIKeyLXPBZXHGHACWFW-SNVBAGLBSA-N
MW255.34 g/mol
LogP0.89
Rot. Bonds4

About N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine (PubChem CID 97210741) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine
PubChem CID97210741
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine
SMILESCCc1cnc(NC[C@H]2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C11H17N3O2S/c1-2-9-5-12-11(13-6-9)14-7-10-3-4-17(15,16)8-10/h5-6,10H,2-4,7-8H2,1H3,(H,12,13,14)/t10-/m1/s1
InChIKeyLXPBZXHGHACWFW-SNVBAGLBSA-N
XLogP0.89
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Ethyl-2-methylpyrimidin-4-yl)thiomorpholine 1,1-dioxide
CID 50967110
5-ethyl-N-[2-(isobutylsulfonyl)ethyl]pyrimidin-2-amine
CID 72854326
N-[2-(isobutylsulfonyl)ethyl]pyrimidin-2-amine
CID 72909170
2-[(5-Ethylpyrimidin-2-YL)amino]-N,N-dimethylethanesulfonamide
CID 72927155
N~2~-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-N~4~,N~4~,5-trimethylpyrimidine-2,4-diamine
CID 50955867
5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 63208027
N-[(1,1-dioxothian-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 75496379
N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoropyrimidin-2-amine
CID 164634267
N-[[(2R)-1,1-dioxothian-2-yl]methyl]-4,5-dimethylpyrimidin-2-amine
CID 164635216
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-5-methylpyrimidin-2-amine
CID 164642526
5-(1-Methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine
CID 67212781
5-(2-Methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine
CID 67212782

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine (CID 97210741) is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine is CCc1cnc(NC[C@H]2CCS(=O)(=O)C2)nc1.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine?
The InChIKey is LXPBZXHGHACWFW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-9-5-12-11(13-6-9)14-7-10-3-4-17(15,16)8-10/h5-6,10H,2-4,7-8H2,1H3,(H,12,13,14)/t10-/m1/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine?
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine has a molecular weight of 255.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine is sourced from PubChem (CID 97210741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).