2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione

C9H12N2OS — CID 106477656

IUPAC2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C9H12N2OS/c1-12-5-7-4-8(13)11-9(10-7)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,10,11,13)
InChIKeyIFDAGPCBKFWKQR-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.16
Rot. Bonds3

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

2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477656) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477656
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C9H12N2OS/c1-12-5-7-4-8(13)11-9(10-7)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,10,11,13)
InChIKeyIFDAGPCBKFWKQR-UHFFFAOYSA-N
XLogP2.16
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106477610
6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106477636
6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077027
6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione
CID 94077038
2-Ethyl-6-methoxymethyl-pyrimidine-4-thiol
CID 94077049
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585
2-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477588
6-(methoxymethyl)-2-propyl-1H-pyrimidine-4-thione
CID 106477607
6-(methoxymethyl)-2-(3-methylbutyl)-1H-pyrimidine-4-thione
CID 106477611
6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
CID 106477616
2-(cyclopropylmethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477623
2-[cyclopropyl(methoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477643

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477656) is 2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is IFDAGPCBKFWKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-12-5-7-4-8(13)11-9(10-7)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,10,11,13).
What are the key properties of 2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 196.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).