1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione

C10H18N2S — CID 87400020

IUPAC1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione
SMILESCCN1C(=S)N(CC)C(C)C=C1C
InChIInChI=1S/C10H18N2S/c1-5-11-8(3)7-9(4)12(6-2)10(11)13/h7-8H,5-6H2,1-4H3
InChIKeyZYLYZMIUIYTOSH-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.22
Rot. Bonds2

About 1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione

1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione (PubChem CID 87400020) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione.

Molecular Properties

Compound Name1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione
PubChem CID87400020
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione
SMILESCCN1C(=S)N(CC)C(C)C=C1C
InChIInChI=1S/C10H18N2S/c1-5-11-8(3)7-9(4)12(6-2)10(11)13/h7-8H,5-6H2,1-4H3
InChIKeyZYLYZMIUIYTOSH-UHFFFAOYSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione?
The IUPAC name of 1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione (CID 87400020) is 1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione.
What is the SMILES notation for 1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione?
The canonical SMILES for 1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione is CCN1C(=S)N(CC)C(C)C=C1C.
What is the InChIKey of 1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione?
The InChIKey is ZYLYZMIUIYTOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-5-11-8(3)7-9(4)12(6-2)10(11)13/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione?
1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione has a molecular weight of 198.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4,6-dimethyl-4H-pyrimidine-2-thione is sourced from PubChem (CID 87400020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).