2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione

C15H26N4OS — CID 82457438

IUPAC2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1
InChIInChI=1S/C15H26N4OS/c1-14(2)7-10(8-15(3,4)19-14)16-11-6-13(21)18-12(17-11)9-20-5/h6,10,19H,7-9H2,1-5H3,(H2,16,17,18,21)
InChIKeyRNCLMUBORLUPNC-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.01
Rot. Bonds4

About 2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione

2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457438) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
PubChem CID82457438
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1
InChIInChI=1S/C15H26N4OS/c1-14(2)7-10(8-15(3,4)19-14)16-11-6-13(21)18-12(17-11)9-20-5/h6,10,19H,7-9H2,1-5H3,(H2,16,17,18,21)
InChIKeyRNCLMUBORLUPNC-UHFFFAOYSA-N
XLogP3.01
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (CID 82457438) is 2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is COCc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The InChIKey is RNCLMUBORLUPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-14(2)7-10(8-15(3,4)19-14)16-11-6-13(21)18-12(17-11)9-20-5/h6,10,19H,7-9H2,1-5H3,(H2,16,17,18,21).
What are the key properties of 2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione has a molecular weight of 310.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).