6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione

C12H17N3S — CID 106478362

IUPAC6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C12H17N3S/c16-11-8-10(9-4-5-9)13-12(14-11)15-6-2-1-3-7-15/h8-9H,1-7H2,(H,13,14,16)
InChIKeyRIOMLUZDDDJNHP-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.01
Rot. Bonds2

About 6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione

6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106478362) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
PubChem CID106478362
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C12H17N3S/c16-11-8-10(9-4-5-9)13-12(14-11)15-6-2-1-3-7-15/h8-9H,1-7H2,(H,13,14,16)
InChIKeyRIOMLUZDDDJNHP-UHFFFAOYSA-N
XLogP3.01
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.01
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-(4-methylpiperazin-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475046
2-piperidin-1-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475071
2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475327
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476082
5-ethyl-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476846
6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477860
6-ethyl-5-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106478110
6-cyclopropyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106478338
6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106478339
6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione
CID 106478361

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione (CID 106478362) is 6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione is S=c1cc(C2CC2)[nH]c(N2CCCCC2)n1.
What is the InChIKey of 6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is RIOMLUZDDDJNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c16-11-8-10(9-4-5-9)13-12(14-11)15-6-2-1-3-7-15/h8-9H,1-7H2,(H,13,14,16).
What are the key properties of 6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 235.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).