6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione

C11H16N2S — CID 106516192

IUPAC6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)c(C)c(C2CC2)[nH]1
InChIInChI=1S/C11H16N2S/c1-3-4-9-12-10(8-5-6-8)7(2)11(14)13-9/h8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyCZGWOVMPRVDCKA-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.28
Rot. Bonds3

About 6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione

6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione (PubChem CID 106516192) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione
PubChem CID106516192
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)c(C)c(C2CC2)[nH]1
InChIInChI=1S/C11H16N2S/c1-3-4-9-12-10(8-5-6-8)7(2)11(14)13-9/h8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyCZGWOVMPRVDCKA-UHFFFAOYSA-N
XLogP3.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione (CID 106516192) is 6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione is CCCc1nc(=S)c(C)c(C2CC2)[nH]1.
What is the InChIKey of 6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione?
The InChIKey is CZGWOVMPRVDCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-3-4-9-12-10(8-5-6-8)7(2)11(14)13-9/h8H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione?
6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione has a molecular weight of 208.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106516192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).