4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine

C14H16BrN3S — CID 116893430

IUPAC4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine
SMILESCc1cc(-c2ccc(Br)s2)nc(C2CCCNC2)n1
InChIInChI=1S/C14H16BrN3S/c1-9-7-11(12-4-5-13(15)19-12)18-14(17-9)10-3-2-6-16-8-10/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyKAHXTXWVTRKEDY-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.74
Rot. Bonds2

About 4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine

4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine (PubChem CID 116893430) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine
PubChem CID116893430
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine
SMILESCc1cc(-c2ccc(Br)s2)nc(C2CCCNC2)n1
InChIInChI=1S/C14H16BrN3S/c1-9-7-11(12-4-5-13(15)19-12)18-14(17-9)10-3-2-6-16-8-10/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyKAHXTXWVTRKEDY-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
CID 124746275
4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124978971
4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124971396
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine
CID 116894826
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate
CID 124953490
4-(3-methoxyphenoxy)-6-methyl-2-piperidin-3-ylpyrimidine
CID 175662227
6-methyl-2-[(3R)-piperidin-3-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95816713

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine (CID 116893430) is 4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine is Cc1cc(-c2ccc(Br)s2)nc(C2CCCNC2)n1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine?
The InChIKey is KAHXTXWVTRKEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c1-9-7-11(12-4-5-13(15)19-12)18-14(17-9)10-3-2-6-16-8-10/h4-5,7,10,16H,2-3,6,8H2,1H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine?
4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine has a molecular weight of 338.27 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine is sourced from PubChem (CID 116893430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).