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

C9H12N2S — CID 106475649

IUPAC6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2(C)CC2)[nH]1
InChIInChI=1S/C9H12N2S/c1-6-5-7(12)11-8(10-6)9(2)3-4-9/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPALAVWOKMSFOPA-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.50
Rot. Bonds1

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

6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione (PubChem CID 106475649) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
PubChem CID106475649
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2(C)CC2)[nH]1
InChIInChI=1S/C9H12N2S/c1-6-5-7(12)11-8(10-6)9(2)3-4-9/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPALAVWOKMSFOPA-UHFFFAOYSA-N
XLogP2.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.50
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-Isopropyl-6-methylpyrimidine-4-thiol
CID 7131471
2-cyclopropyl-6-ethyl-1H-pyrimidine-4-thione
CID 121602234
2-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 17606387
6-methyl-2-propyl-1H-pyrimidine-4-thione
CID 17606395
2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
CID 68001654
2-cyclopropyl-6-propyl-1H-pyrimidine-4-thione
CID 106475116
2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475135
2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475374
2-(1-methylcyclopropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475393
2-(cyclopropylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475596
2-butan-2-yl-6-methyl-1H-pyrimidine-4-thione
CID 106475744
2-(2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475749

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione (CID 106475649) is 6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C2(C)CC2)[nH]1.
What is the InChIKey of 6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
The InChIKey is PALAVWOKMSFOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-6-5-7(12)11-8(10-6)9(2)3-4-9/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione?
6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione has a molecular weight of 180.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).