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

C11H19N3S — CID 106475965

IUPAC6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione
SMILESCN(C)Cc1nc(=S)cc(C(C)(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-11(2,3)8-6-10(15)13-9(12-8)7-14(4)5/h6H,7H2,1-5H3,(H,12,13,15)
InChIKeyDWCCIMYCIPBVCG-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.50
Rot. Bonds2

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

6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione (PubChem CID 106475965) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione
PubChem CID106475965
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione
SMILESCN(C)Cc1nc(=S)cc(C(C)(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-11(2,3)8-6-10(15)13-9(12-8)7-14(4)5/h6H,7H2,1-5H3,(H,12,13,15)
InChIKeyDWCCIMYCIPBVCG-UHFFFAOYSA-N
XLogP2.50
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.50
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-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475148
2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475169
2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475204
2-(1,4-dimethylpiperazin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475390
2-[2-(diethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475406
2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475424
2-(1,4-dimethyl-1,4-diazepan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475425
2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475458
2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475711
6-tert-butyl-2-methyl-1H-pyrimidine-4-thione
CID 106475805
2,6-ditert-butyl-1H-pyrimidine-4-thione
CID 106475807
6-tert-butyl-2-propyl-1H-pyrimidine-4-thione
CID 106475830

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione?
The IUPAC name of 6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione (CID 106475965) is 6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione?
The canonical SMILES for 6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione is CN(C)Cc1nc(=S)cc(C(C)(C)C)[nH]1.
What is the InChIKey of 6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione?
The InChIKey is DWCCIMYCIPBVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2,3)8-6-10(15)13-9(12-8)7-14(4)5/h6H,7H2,1-5H3,(H,12,13,15).
What are the key properties of 6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione?
6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione has a molecular weight of 225.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).