2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C12H18N2OS — CID 106476884

IUPAC2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C(OC)C2CC2)nc1=S
InChIInChI=1S/C12H18N2OS/c1-4-9-7(2)13-11(14-12(9)16)10(15-3)8-5-6-8/h8,10H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyJPKMFHASGYSGSZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.11
Rot. Bonds4

About 2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione

2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476884) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476884
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C(OC)C2CC2)nc1=S
InChIInChI=1S/C12H18N2OS/c1-4-9-7(2)13-11(14-12(9)16)10(15-3)8-5-6-8/h8,10H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyJPKMFHASGYSGSZ-UHFFFAOYSA-N
XLogP3.11
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.11
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-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475619
2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475690

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106476884) is 2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C(OC)C2CC2)nc1=S.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is JPKMFHASGYSGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-4-9-7(2)13-11(14-12(9)16)10(15-3)8-5-6-8/h8,10H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 238.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).