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

C10H14N2OS — CID 106477672

IUPAC6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2(C)CC2)[nH]1
InChIInChI=1S/C10H14N2OS/c1-10(3-4-10)9-11-7(6-13-2)5-8(14)12-9/h5H,3-4,6H2,1-2H3,(H,11,12,14)
InChIKeyWMHTYMKYWDOIGI-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.34
Rot. Bonds3

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

6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione (PubChem CID 106477672) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
PubChem CID106477672
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2(C)CC2)[nH]1
InChIInChI=1S/C10H14N2OS/c1-10(3-4-10)9-11-7(6-13-2)5-8(14)12-9/h5H,3-4,6H2,1-2H3,(H,11,12,14)
InChIKeyWMHTYMKYWDOIGI-UHFFFAOYSA-N
XLogP2.34
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-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-(2-ethoxybutan-2-yl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477628
6-(methoxymethyl)-2-(3-methoxypentan-3-yl)-1H-pyrimidine-4-thione
CID 106477629
2-[cyclopropyl(methoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477643

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione (CID 106477672) is 6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C2(C)CC2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
The InChIKey is WMHTYMKYWDOIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-10(3-4-10)9-11-7(6-13-2)5-8(14)12-9/h5H,3-4,6H2,1-2H3,(H,11,12,14).
What are the key properties of 6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione has a molecular weight of 210.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).