1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide

C12H18N6O2S — CID 60705262

IUPAC1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CSc2nc(N)cc(N)n2)C1
InChIInChI=1S/C12H18N6O2S/c13-8-4-9(14)17-12(16-8)21-6-10(19)18-3-1-2-7(5-18)11(15)20/h4,7H,1-3,5-6H2,(H2,15,20)(H4,13,14,16,17)
InChIKeyUKRJMHISVCACMX-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.54
Rot. Bonds4

About 1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide

1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide (PubChem CID 60705262) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
PubChem CID60705262
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CSc2nc(N)cc(N)n2)C1
InChIInChI=1S/C12H18N6O2S/c13-8-4-9(14)17-12(16-8)21-6-10(19)18-3-1-2-7(5-18)11(15)20/h4,7H,1-3,5-6H2,(H2,15,20)(H4,13,14,16,17)
InChIKeyUKRJMHISVCACMX-UHFFFAOYSA-N
XLogP-0.54
TPSA141.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 8731392
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
CID 51073353
1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 61030828
1-[2-(2-amino-5-bromophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 79520324
1-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 17434076
(3S)-1-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 8582066
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784829
1-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784822
1-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]piperidine-3-carboxamide
CID 66149815
1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 134028786
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
(3R)-1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide
CID 9118937

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide (CID 60705262) is 1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CSc2nc(N)cc(N)n2)C1.
What is the InChIKey of 1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
The InChIKey is UKRJMHISVCACMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c13-8-4-9(14)17-12(16-8)21-6-10(19)18-3-1-2-7(5-18)11(15)20/h4,7H,1-3,5-6H2,(H2,15,20)(H4,13,14,16,17).
What are the key properties of 1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide has a molecular weight of 310.38 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide is sourced from PubChem (CID 60705262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).