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

C14H25N3S — CID 106477934

IUPAC2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCN(CC)CCc1nc(=S)c(C(C)C)c(C)[nH]1
InChIInChI=1S/C14H25N3S/c1-6-17(7-2)9-8-12-15-11(5)13(10(3)4)14(18)16-12/h10H,6-9H2,1-5H3,(H,15,16,18)
InChIKeyFIISROTXGYZIGQ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.46
Rot. Bonds6

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

2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477934) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477934
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCN(CC)CCc1nc(=S)c(C(C)C)c(C)[nH]1
InChIInChI=1S/C14H25N3S/c1-6-17(7-2)9-8-12-15-11(5)13(10(3)4)14(18)16-12/h10H,6-9H2,1-5H3,(H,15,16,18)
InChIKeyFIISROTXGYZIGQ-UHFFFAOYSA-N
XLogP3.46
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.46
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
2,5-diethyl-6-methyl-1H-pyrimidine-4-thione
CID 94077050
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
2-[2-(diethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476161
2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476178
2-[2-(diethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476684

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477934) is 2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is CCN(CC)CCc1nc(=S)c(C(C)C)c(C)[nH]1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is FIISROTXGYZIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-6-17(7-2)9-8-12-15-11(5)13(10(3)4)14(18)16-12/h10H,6-9H2,1-5H3,(H,15,16,18).
What are the key properties of 2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
2-[2-(diethylamino)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 267.44 g/mol, XLogP of 3.46, 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]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).