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

C10H15N3S — CID 174502330

IUPAC2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(N2CCCCC2)[nH]1
InChIInChI=1S/C10H15N3S/c1-8-11-9(7-10(14)12-8)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,11,12,14)
InChIKeyMDQBDWCTEDIKRF-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.44
Rot. Bonds1

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

2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 174502330) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione
PubChem CID174502330
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(N2CCCCC2)[nH]1
InChIInChI=1S/C10H15N3S/c1-8-11-9(7-10(14)12-8)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,11,12,14)
InChIKeyMDQBDWCTEDIKRF-UHFFFAOYSA-N
XLogP2.44
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.44
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

6-(Piperidin-1-yl)pyrimidine-4-thiol
CID 45496274
N,2,3-trimethyl-6-piperidin-1-yl-4H-pyrimidin-4-amine
CID 53717569
2-piperidin-1-yl-1H-pyrimidine-6-thione
CID 106476332
2-methyl-6-piperidin-1-yl-1H-pyrimidine-2,4-diamine
CID 154454818
6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 17606449
6-(2-methylpiperidino)-4(3H)-pyrimidinethione
CID 50743317
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160
2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457172
2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457234
6-(pentylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione (CID 174502330) is 2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione is Cc1nc(=S)cc(N2CCCCC2)[nH]1.
What is the InChIKey of 2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is MDQBDWCTEDIKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-11-9(7-10(14)12-8)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,11,12,14).
What are the key properties of 2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione?
2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 209.32 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 174502330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).