2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione

C10H14N2OS — CID 106475619

IUPAC2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCOC(c1nc(=S)cc(C)[nH]1)C1CC1
InChIInChI=1S/C10H14N2OS/c1-6-5-8(14)12-10(11-6)9(13-2)7-3-4-7/h5,7,9H,3-4H2,1-2H3,(H,11,12,14)
InChIKeyRDIAOWKBSCPKGL-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.55
Rot. Bonds3

About 2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione

2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475619) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475619
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCOC(c1nc(=S)cc(C)[nH]1)C1CC1
InChIInChI=1S/C10H14N2OS/c1-6-5-8(14)12-10(11-6)9(13-2)7-3-4-7/h5,7,9H,3-4H2,1-2H3,(H,11,12,14)
InChIKeyRDIAOWKBSCPKGL-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

2-[cyclopropyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475104
2-(1-methoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475143
2-(1-methoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475217
2-[cyclopropyl(methoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475360
2-(1-methoxybutyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475401
2-[cyclopropyl(ethoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475435
2-(1-methoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475470
2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475471
2-(1-ethoxybutyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475472
2-(1-ethoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475514
2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475643
2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475654

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione (CID 106475619) is 2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione is COC(c1nc(=S)cc(C)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is RDIAOWKBSCPKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-6-5-8(14)12-10(11-6)9(13-2)7-3-4-7/h5,7,9H,3-4H2,1-2H3,(H,11,12,14).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 210.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).