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

C10H17N3S — CID 106477859

IUPAC2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N(C)C)nc(=S)c1C(C)C
InChIInChI=1S/C10H17N3S/c1-6(2)8-7(3)11-10(13(4)5)12-9(8)14/h6H,1-5H3,(H,11,12,14)
InChIKeySPEVHFOXUJGPRZ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.64
Rot. Bonds2

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

2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477859) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477859
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N(C)C)nc(=S)c1C(C)C
InChIInChI=1S/C10H17N3S/c1-6(2)8-7(3)11-10(13(4)5)12-9(8)14/h6H,1-5H3,(H,11,12,14)
InChIKeySPEVHFOXUJGPRZ-UHFFFAOYSA-N
XLogP2.64
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.64
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-Amino-5-ethyl-6-methylpyrimidine-4-thiol
CID 728853
2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 21488402
5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 21488435
6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477939
2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476604
5-ethyl-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476825
2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476970
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
6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477860
2-(diethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477979
6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106478086

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477859) is 2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(N(C)C)nc(=S)c1C(C)C.
What is the InChIKey of 2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is SPEVHFOXUJGPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-6(2)8-7(3)11-10(13(4)5)12-9(8)14/h6H,1-5H3,(H,11,12,14).
What are the key properties of 2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).