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

C11H19N3S — CID 106475169

IUPAC2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CCN(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-4-5-9-8-11(15)13-10(12-9)6-7-14(2)3/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyLNXOMRCDSQVECJ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.20
Rot. Bonds5

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

2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475169) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475169
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CCN(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-4-5-9-8-11(15)13-10(12-9)6-7-14(2)3/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyLNXOMRCDSQVECJ-UHFFFAOYSA-N
XLogP2.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2,3,4-Tetrahydropyridin-6-ylmethyl)-1,4,5,6-tetrahydropyrimidine
CID 21340217
2-[2-(1,2,3,4-Tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
CID 22886471
2-(2-Methyl-1,4-dihydropyrimidin-6-yl)propanethioamide
CID 123182298
Ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium
CID 123212275
2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine
CID 137090868
N,N'-dimethyl-N'-(6-methyl-3,4-dihydropyridin-2-yl)ethane-1,2-diamine
CID 142349265
6-methyl-N-propan-2-yl-3,4-dihydro-1H-pyridin-2-imine
CID 156227099
2,6-Diisopropyl-pyrimidine-4-thiol
CID 94077024
2-propan-2-yl-6-propyl-1H-pyrimidine-4-thione
CID 94077025
2-Methyl-6-propyl-pyrimidine-4-thiol
CID 94077037
2,6-diethyl-1H-pyrimidine-4-thione
CID 94077045
2-ethyl-6-propyl-1H-pyrimidine-4-thione
CID 94077047

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione (CID 106475169) is 2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(CCN(C)C)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is LNXOMRCDSQVECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-5-9-8-11(15)13-10(12-9)6-7-14(2)3/h8H,4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione?
2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 225.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).