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

C13H23N3S — CID 106475148

IUPAC2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CCN(CC)CC)[nH]1
InChIInChI=1S/C13H23N3S/c1-4-7-11-10-13(17)15-12(14-11)8-9-16(5-2)6-3/h10H,4-9H2,1-3H3,(H,14,15,17)
InChIKeyPFANOXGISBSSEW-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.98
Rot. Bonds7

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

2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475148) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475148
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CCN(CC)CC)[nH]1
InChIInChI=1S/C13H23N3S/c1-4-7-11-10-13(17)15-12(14-11)8-9-16(5-2)6-3/h10H,4-9H2,1-3H3,(H,14,15,17)
InChIKeyPFANOXGISBSSEW-UHFFFAOYSA-N
XLogP2.98
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.98
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-(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-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione (CID 106475148) is 2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(CCN(CC)CC)[nH]1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is PFANOXGISBSSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-7-11-10-13(17)15-12(14-11)8-9-16(5-2)6-3/h10H,4-9H2,1-3H3,(H,14,15,17).
What are the key properties of 2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione?
2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 253.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).