6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione

C13H21N3S — CID 106477860

IUPAC6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCCCC2)nc(=S)c1C(C)C
InChIInChI=1S/C13H21N3S/c1-9(2)11-10(3)14-13(15-12(11)17)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3,(H,14,15,17)
InChIKeyXSEACKHLDJCRIW-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.56
Rot. Bonds2

About 6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione

6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477860) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477860
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCCCC2)nc(=S)c1C(C)C
InChIInChI=1S/C13H21N3S/c1-9(2)11-10(3)14-13(15-12(11)17)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3,(H,14,15,17)
InChIKeyXSEACKHLDJCRIW-UHFFFAOYSA-N
XLogP3.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.56
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-piperidin-1-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475071
2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475327
6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476082
5,6-dimethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476605
5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476824
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-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477080
2-piperidin-1-yl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477107
2-(diethylamino)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477220
2-Piperidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477353

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477860) is 6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(N2CCCCC2)nc(=S)c1C(C)C.
What is the InChIKey of 6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is XSEACKHLDJCRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9(2)11-10(3)14-13(15-12(11)17)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3,(H,14,15,17).
What are the key properties of 6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione?
6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 251.40 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).