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

C8H13N3S — CID 106475711

IUPAC2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CN(C)C)[nH]1
InChIInChI=1S/C8H13N3S/c1-6-4-8(12)10-7(9-6)5-11(2)3/h4H,5H2,1-3H3,(H,9,10,12)
InChIKeyJACLJBITBSCLTE-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.51
Rot. Bonds2

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

2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475711) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475711
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CN(C)C)[nH]1
InChIInChI=1S/C8H13N3S/c1-6-4-8(12)10-7(9-6)5-11(2)3/h4H,5H2,1-3H3,(H,9,10,12)
InChIKeyJACLJBITBSCLTE-UHFFFAOYSA-N
XLogP1.51
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.51
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

2,6-Dimethylpyrimidine-4-thiol
CID 4410552
N,N-dimethyl-1-(6-methyl-1,4-dihydropyrimidin-2-yl)methanamine
CID 142082996
6-{[2-(diethylamino)ethyl]amino}-4-methylpyrimidine-2(1H)-thione
CID 53491189
4-(diethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione
CID 83872031
6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione
CID 83872032
2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475204
2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475458
2-(1,4-dimethylpiperazin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475646
2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475661
2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475678
2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106475698
6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione
CID 106475965

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione (CID 106475711) is 2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione is Cc1cc(=S)nc(CN(C)C)[nH]1.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is JACLJBITBSCLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-4-8(12)10-7(9-6)5-11(2)3/h4H,5H2,1-3H3,(H,9,10,12).
What are the key properties of 2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione?
2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 183.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).