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

C10H17N3S — CID 106475204

IUPAC2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CN(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-4-5-8-6-10(14)12-9(11-8)7-13(2)3/h6H,4-5,7H2,1-3H3,(H,11,12,14)
InChIKeyASWADCSJFDVJDE-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.15
Rot. Bonds4

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

2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475204) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475204
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CN(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-4-5-8-6-10(14)12-9(11-8)7-13(2)3/h6H,4-5,7H2,1-3H3,(H,11,12,14)
InChIKeyASWADCSJFDVJDE-UHFFFAOYSA-N
XLogP2.15
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.15
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

N,N'-dimethyl-N'-(6-methyl-3,4-dihydropyridin-2-yl)ethane-1,2-diamine
CID 142349265
2-propan-2-yl-6-propyl-1H-pyrimidine-4-thione
CID 94077025
2-Methyl-6-propyl-pyrimidine-4-thiol
CID 94077037
2-ethyl-6-propyl-1H-pyrimidine-4-thione
CID 94077047
2-(4-methylpiperazin-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475046
2,6-dipropyl-1H-pyrimidine-4-thione
CID 106475068
2-(1,4-dimethylpiperazin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475132
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-(1,4-dimethyl-1,4-diazepan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475170
2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475212

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione (CID 106475204) is 2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(CN(C)C)[nH]1.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is ASWADCSJFDVJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-5-8-6-10(14)12-9(11-8)7-13(2)3/h6H,4-5,7H2,1-3H3,(H,11,12,14).
What are the key properties of 2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione?
2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).