6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione

C10H16N2S — CID 106475582

IUPAC6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CCC(C)C)[nH]1
InChIInChI=1S/C10H16N2S/c1-7(2)4-5-9-11-8(3)6-10(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyHUAOBNVPXCQGFS-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.04
Rot. Bonds3

About 6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione

6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione (PubChem CID 106475582) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione
PubChem CID106475582
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CCC(C)C)[nH]1
InChIInChI=1S/C10H16N2S/c1-7(2)4-5-9-11-8(3)6-10(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyHUAOBNVPXCQGFS-UHFFFAOYSA-N
XLogP3.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.04
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
6-methyl-2-propyl-1H-pyrimidine-4-thione
CID 17606395
2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
CID 68001654
2,6-Diisopropyl-pyrimidine-4-thiol
CID 94077024
2-propan-2-yl-6-propyl-1H-pyrimidine-4-thione
CID 94077025
2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-(3-methylbutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475073
2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475085
2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione
CID 106475201
2-(2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475225
2-butan-2-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475238
2-butyl-6-propyl-1H-pyrimidine-4-thione
CID 106475252

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione (CID 106475582) is 6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(CCC(C)C)[nH]1.
What is the InChIKey of 6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione?
The InChIKey is HUAOBNVPXCQGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(2)4-5-9-11-8(3)6-10(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione?
6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione has a molecular weight of 196.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).