2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione

C10H14N2S — CID 106476623

IUPAC2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(CC2CC2)nc(=S)c1C
InChIInChI=1S/C10H14N2S/c1-6-7(2)11-9(12-10(6)13)5-8-3-4-8/h8H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyHSEIAFTYOXIWAR-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.71
Rot. Bonds2

About 2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione

2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476623) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476623
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(CC2CC2)nc(=S)c1C
InChIInChI=1S/C10H14N2S/c1-6-7(2)11-9(12-10(6)13)5-8-3-4-8/h8H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyHSEIAFTYOXIWAR-UHFFFAOYSA-N
XLogP2.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.71
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

2-Cyclopropyl-4-mercapto-6-methylpyrimidine-5-carbonitrile
CID 28818768
6-methyl-2-(2-methylpropyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 138676979
2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
CID 68001654
5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
CID 82505499
5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077026
2-ethyl-5,6-dimethyl-1H-pyrimidine-4-thione
CID 94077048
2-(cyclopropylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475596
6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione
CID 106475784
2-(cyclopropylmethyl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476099
6-ethyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione
CID 106476281
2-cyclopentyl-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476576
5,6-dimethyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione
CID 106476607

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476623) is 2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is Cc1[nH]c(CC2CC2)nc(=S)c1C.
What is the InChIKey of 2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is HSEIAFTYOXIWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-6-7(2)11-9(12-10(6)13)5-8-3-4-8/h8H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 194.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).