6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione

C17H20N2S — CID 106481422

IUPAC6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(C2(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C17H20N2S/c1-12(2)10-14-11-15(20)19-16(18-14)17(8-9-17)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,19,20)
InChIKeyQPSIKYKRCXCFJO-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.42
Rot. Bonds4

About 6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione

6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione (PubChem CID 106481422) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione
PubChem CID106481422
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(C2(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C17H20N2S/c1-12(2)10-14-11-15(20)19-16(18-14)17(8-9-17)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,19,20)
InChIKeyQPSIKYKRCXCFJO-UHFFFAOYSA-N
XLogP4.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.42
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-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione (CID 106481422) is 6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione is CC(C)Cc1cc(=S)nc(C2(c3ccccc3)CC2)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione?
The InChIKey is QPSIKYKRCXCFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12(2)10-14-11-15(20)19-16(18-14)17(8-9-17)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione?
6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione has a molecular weight of 284.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).