4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine

C13H21N3S — CID 3074006

IUPAC4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine
SMILESCc1cc(N2CCCCC2)nc(SC(C)C)n1
InChIInChI=1S/C13H21N3S/c1-10(2)17-13-14-11(3)9-12(15-13)16-7-5-4-6-8-16/h9-10H,4-8H2,1-3H3
InChIKeyPNDQFQDURLQLTD-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.28
Rot. Bonds3

About 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine

4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine (PubChem CID 3074006) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine
PubChem CID3074006
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine
SMILESCc1cc(N2CCCCC2)nc(SC(C)C)n1
InChIInChI=1S/C13H21N3S/c1-10(2)17-13-14-11(3)9-12(15-13)16-7-5-4-6-8-16/h9-10H,4-8H2,1-3H3
InChIKeyPNDQFQDURLQLTD-UHFFFAOYSA-N
XLogP3.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine?
The IUPAC name of 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine (CID 3074006) is 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine.
What is the SMILES notation for 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine?
The canonical SMILES for 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine is Cc1cc(N2CCCCC2)nc(SC(C)C)n1.
What is the InChIKey of 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine?
The InChIKey is PNDQFQDURLQLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10(2)17-13-14-11(3)9-12(15-13)16-7-5-4-6-8-16/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine?
4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine has a molecular weight of 251.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine is sourced from PubChem (CID 3074006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).