N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

C14H22N4O2S — CID 127494212

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESO=S1(=O)CCCC1CNc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C14H22N4O2S/c19-21(20)8-4-5-12(21)10-15-13-9-14(17-11-16-13)18-6-2-1-3-7-18/h9,11-12H,1-8,10H2,(H,15,16,17)
InChIKeyLNGLDXODVKEUBZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.46
Rot. Bonds4

About N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 127494212) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID127494212
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESO=S1(=O)CCCC1CNc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C14H22N4O2S/c19-21(20)8-4-5-12(21)10-15-13-9-14(17-11-16-13)18-6-2-1-3-7-18/h9,11-12H,1-8,10H2,(H,15,16,17)
InChIKeyLNGLDXODVKEUBZ-UHFFFAOYSA-N
XLogP1.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 81047067
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
2-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]thiolane 1,1-dioxide
CID 138018958
N-[(4-methylmorpholin-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133280984
N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine
CID 81040808
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 84590457
(3R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 97245441
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
4-N-[(1,1-dioxothiolan-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 81046481
2-N-[(1,1-dioxothiolan-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 81042418

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 127494212) is N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is O=S1(=O)CCCC1CNc1cc(N2CCCCC2)ncn1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is LNGLDXODVKEUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c19-21(20)8-4-5-12(21)10-15-13-9-14(17-11-16-13)18-6-2-1-3-7-18/h9,11-12H,1-8,10H2,(H,15,16,17).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 310.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 127494212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).