6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione

C12H19N3S — CID 106481953

IUPAC6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione
SMILESCN(C)Cc1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C12H19N3S/c1-15(2)8-11-13-10(7-12(16)14-11)9-5-3-4-6-9/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyBTOHQHOVFJZHAY-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.86
Rot. Bonds3

About 6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione

6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione (PubChem CID 106481953) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione
PubChem CID106481953
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione
SMILESCN(C)Cc1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C12H19N3S/c1-15(2)8-11-13-10(7-12(16)14-11)9-5-3-4-6-9/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyBTOHQHOVFJZHAY-UHFFFAOYSA-N
XLogP2.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475159
2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475204
2-cyclopentyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475301
2-(3-methylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475415
2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475458
2-(3-ethylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475492
6-tert-butyl-2-cyclopentyl-1H-pyrimidine-4-thione
CID 106475802
2-cyclopentyl-6-ethyl-1H-pyrimidine-4-thione
CID 106476053
6-ethyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106476169
6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione
CID 106476242
2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478336

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione (CID 106481953) is 6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione is CN(C)Cc1nc(=S)cc(C2CCCC2)[nH]1.
What is the InChIKey of 6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione?
The InChIKey is BTOHQHOVFJZHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15(2)8-11-13-10(7-12(16)14-11)9-5-3-4-6-9/h7,9H,3-6,8H2,1-2H3,(H,13,14,16).
What are the key properties of 6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione?
6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione has a molecular weight of 237.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).