5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione

C11H16N2S — CID 106477058

IUPAC5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CC2C)nc1=S
InChIInChI=1S/C11H16N2S/c1-4-8-7(3)12-10(13-11(8)14)9-5-6(9)2/h6,9H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyCVPLCYPMPOPPEE-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.13
Rot. Bonds2

About 5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione

5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione (PubChem CID 106477058) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione
PubChem CID106477058
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CC2C)nc1=S
InChIInChI=1S/C11H16N2S/c1-4-8-7(3)12-10(13-11(8)14)9-5-6(9)2/h6,9H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyCVPLCYPMPOPPEE-UHFFFAOYSA-N
XLogP3.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106477861
6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 113839304
5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
CID 106517865
2-cyclopropyl-6-ethyl-1H-pyrimidine-4-thione
CID 121602234
5-Ethyl-2-isopropyl-6-methyl-pyrimidine-4-thiol
CID 94077028
6-Ethyl-2-isopropyl-5-methyl-pyrimidine-4-thiol
CID 94077030
2,5-diethyl-6-methyl-1H-pyrimidine-4-thione
CID 94077050
2,6-diethyl-5-methyl-1H-pyrimidine-4-thione
CID 94077051
2-(3-methylbutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475073
2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475085
2-(2-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475282
2-(3-methylbutyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475329

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione (CID 106477058) is 5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2CC2C)nc1=S.
What is the InChIKey of 5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione?
The InChIKey is CVPLCYPMPOPPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-8-7(3)12-10(13-11(8)14)9-5-6(9)2/h6,9H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione?
5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione has a molecular weight of 208.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).