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

C12H21N3S — CID 106477979

IUPAC2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c(C(C)C)c(C)[nH]1
InChIInChI=1S/C12H21N3S/c1-6-15(7-2)12-13-9(5)10(8(3)4)11(16)14-12/h8H,6-7H2,1-5H3,(H,13,14,16)
InChIKeyQFTBMTNQPFJZAC-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.42
Rot. Bonds4

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

2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477979) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477979
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c(C(C)C)c(C)[nH]1
InChIInChI=1S/C12H21N3S/c1-6-15(7-2)12-13-9(5)10(8(3)4)11(16)14-12/h8H,6-7H2,1-5H3,(H,13,14,16)
InChIKeyQFTBMTNQPFJZAC-UHFFFAOYSA-N
XLogP3.42
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.42
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-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 21488402
5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 21488435
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
2-(diethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476721
5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476824
5-ethyl-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476825
2-(azepan-1-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476845
5-ethyl-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476846
2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476970
2-(Diethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477476
6-methyl-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477832
6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106477833

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477979) is 2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is CCN(CC)c1nc(=S)c(C(C)C)c(C)[nH]1.
What is the InChIKey of 2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is QFTBMTNQPFJZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-6-15(7-2)12-13-9(5)10(8(3)4)11(16)14-12/h8H,6-7H2,1-5H3,(H,13,14,16).
What are the key properties of 2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 239.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).