N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine

C15H23N3O2S — CID 115337427

IUPACN-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
SMILESCc1nc(C2CCS(=O)(=O)C2)nc(C)c1CCNC1CC1
InChIInChI=1S/C15H23N3O2S/c1-10-14(5-7-16-13-3-4-13)11(2)18-15(17-10)12-6-8-21(19,20)9-12/h12-13,16H,3-9H2,1-2H3
InChIKeyXLLGZUULXGJHPD-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.29
Rot. Bonds5

About N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine

N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine (PubChem CID 115337427) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
PubChem CID115337427
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
SMILESCc1nc(C2CCS(=O)(=O)C2)nc(C)c1CCNC1CC1
InChIInChI=1S/C15H23N3O2S/c1-10-14(5-7-16-13-3-4-13)11(2)18-15(17-10)12-6-8-21(19,20)9-12/h12-13,16H,3-9H2,1-2H3
InChIKeyXLLGZUULXGJHPD-UHFFFAOYSA-N
XLogP1.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 113289879
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 65399429
3-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 115337078
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
5-bromo-2-(1,1-dioxothiolan-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 115337254
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744769
N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine
CID 80637259
methyl 4-amino-2-(1,1-dioxothiolan-3-yl)-6-methylpyrimidine-5-carboxylate
CID 116647503
N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 65420884
2-(1,1-dioxothiolan-3-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 115337211
N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 116731696
5-bromo-2-(1,1-dioxothiolan-3-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 115337260

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine (CID 115337427) is N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine is Cc1nc(C2CCS(=O)(=O)C2)nc(C)c1CCNC1CC1.
What is the InChIKey of N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine?
The InChIKey is XLLGZUULXGJHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-14(5-7-16-13-3-4-13)11(2)18-15(17-10)12-6-8-21(19,20)9-12/h12-13,16H,3-9H2,1-2H3.
What are the key properties of N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine?
N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine has a molecular weight of 309.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 115337427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).