2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C13H23N3S — CID 106476931

IUPAC2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(CCN(CC)CC)nc1=S
InChIInChI=1S/C13H23N3S/c1-5-11-10(4)14-12(15-13(11)17)8-9-16(6-2)7-3/h5-9H2,1-4H3,(H,14,15,17)
InChIKeyITPDAWMPRGHNRM-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.89
Rot. Bonds6

About 2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione

2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476931) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476931
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(CCN(CC)CC)nc1=S
InChIInChI=1S/C13H23N3S/c1-5-11-10(4)14-12(15-13(11)17)8-9-16(6-2)7-3/h5-9H2,1-4H3,(H,14,15,17)
InChIKeyITPDAWMPRGHNRM-UHFFFAOYSA-N
XLogP2.89
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.89
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

5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
CID 106517865
5-Ethyl-2-isopropyl-6-methyl-pyrimidine-4-thiol
CID 94077028
6-Ethyl-2-isopropyl-5-methyl-pyrimidine-4-thiol
CID 94077030
5-ethyl-2,6-dimethyl-1H-pyrimidine-4-thione
CID 94077039
6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione
CID 94077040
2,5-diethyl-6-methyl-1H-pyrimidine-4-thione
CID 94077050
2,6-diethyl-5-methyl-1H-pyrimidine-4-thione
CID 94077051
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-[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
6-tert-butyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione
CID 106475929

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106476931) is 2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(CCN(CC)CC)nc1=S.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is ITPDAWMPRGHNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-5-11-10(4)14-12(15-13(11)17)8-9-16(6-2)7-3/h5-9H2,1-4H3,(H,14,15,17).
What are the key properties of 2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 253.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).