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

C10H14N2OS — CID 106476456

IUPAC2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione
SMILESCCOC(c1nccc(=S)[nH]1)C1CC1
InChIInChI=1S/C10H14N2OS/c1-2-13-9(7-3-4-7)10-11-6-5-8(14)12-10/h5-7,9H,2-4H2,1H3,(H,11,12,14)
InChIKeyPOMARNUJHTXJNL-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.63
Rot. Bonds4

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

2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione (PubChem CID 106476456) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione
PubChem CID106476456
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione
SMILESCCOC(c1nccc(=S)[nH]1)C1CC1
InChIInChI=1S/C10H14N2OS/c1-2-13-9(7-3-4-7)10-11-6-5-8(14)12-10/h5-7,9H,2-4H2,1H3,(H,11,12,14)
InChIKeyPOMARNUJHTXJNL-UHFFFAOYSA-N
XLogP2.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.63
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-methyl-1H-pyrimidine-4-thione
CID 106475619
2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475690
2-(2-ethoxybutan-2-yl)-1H-pyrimidine-6-thione
CID 106476356
2-[cyclopropyl(methoxy)methyl]-1H-pyrimidine-6-thione
CID 106476372
2-(1-ethoxyethyl)-1H-pyrimidine-6-thione
CID 106476399
2-(1-ethoxypropyl)-1H-pyrimidine-6-thione
CID 106476411
2-(1-methoxybutyl)-1H-pyrimidine-6-thione
CID 106476414
2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidine-6-thione
CID 106476415
2-(3-ethoxypentan-3-yl)-1H-pyrimidine-6-thione
CID 106476448
2-(1-methoxycyclobutyl)-1H-pyrimidine-6-thione
CID 106476449
2-(1-methoxypropyl)-1H-pyrimidine-6-thione
CID 106476491
2-(1-methoxy-2-methylpropyl)-1H-pyrimidine-6-thione
CID 106476492

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione (CID 106476456) is 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione is CCOC(c1nccc(=S)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione?
The InChIKey is POMARNUJHTXJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-13-9(7-3-4-7)10-11-6-5-8(14)12-10/h5-7,9H,2-4H2,1H3,(H,11,12,14).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione?
2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione has a molecular weight of 210.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).