6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione

C10H15N3OS — CID 106477587

IUPAC6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(N2CCCC2)[nH]1
InChIInChI=1S/C10H15N3OS/c1-14-7-8-6-9(15)12-10(11-8)13-4-2-3-5-13/h6H,2-5,7H2,1H3,(H,11,12,15)
InChIKeyKVDSGPLOLFKSRX-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.89
Rot. Bonds3

About 6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione

6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106477587) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
PubChem CID106477587
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(N2CCCC2)[nH]1
InChIInChI=1S/C10H15N3OS/c1-14-7-8-6-9(15)12-10(11-8)13-4-2-3-5-13/h6H,2-5,7H2,1H3,(H,11,12,15)
InChIKeyKVDSGPLOLFKSRX-UHFFFAOYSA-N
XLogP1.89
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476056
2-(azepan-1-yl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476080
2-(azepan-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475069
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585
methyl 6-(methoxymethyl)-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106477619
6-(methoxymethyl)-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106477693
6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
CID 106477617
6-(methoxymethyl)-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione
CID 106477678
6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
CID 106477616
6-(methoxymethyl)-2-pyrimidin-4-yl-1H-pyrimidine-4-thione
CID 106477664
2-(3-fluoro-5-methylphenyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477596
4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 135629231

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (CID 106477587) is 6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is COCc1cc(=S)nc(N2CCCC2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is KVDSGPLOLFKSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-14-7-8-6-9(15)12-10(11-8)13-4-2-3-5-13/h6H,2-5,7H2,1H3,(H,11,12,15).
What are the key properties of 6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 225.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).