4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine

C14H17N3O — CID 116898890

IUPAC4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine
SMILESCc1ccc(-c2ccnc(C3CCCNC3)n2)o1
InChIInChI=1S/C14H17N3O/c1-10-4-5-13(18-10)12-6-8-16-14(17-12)11-3-2-7-15-9-11/h4-6,8,11,15H,2-3,7,9H2,1H3
InChIKeyBAZDOVMDOWHCCF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds2

About 4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine

4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine (PubChem CID 116898890) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine
PubChem CID116898890
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine
SMILESCc1ccc(-c2ccnc(C3CCCNC3)n2)o1
InChIInChI=1S/C14H17N3O/c1-10-4-5-13(18-10)12-6-8-16-14(17-12)11-3-2-7-15-9-11/h4-6,8,11,15H,2-3,7,9H2,1H3
InChIKeyBAZDOVMDOWHCCF-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine
CID 116901849
4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine
CID 116898947
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine
CID 175902287
3-[4-(2-methylpropyl)pyrimidin-2-yl]azepane
CID 84697087
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
2,3-dimethyl-4-piperidin-3-ylpyridine
CID 84662825
2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride
CID 71298998

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine?
The IUPAC name of 4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine (CID 116898890) is 4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine?
The canonical SMILES for 4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine is Cc1ccc(-c2ccnc(C3CCCNC3)n2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine?
The InChIKey is BAZDOVMDOWHCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-5-13(18-10)12-6-8-16-14(17-12)11-3-2-7-15-9-11/h4-6,8,11,15H,2-3,7,9H2,1H3.
What are the key properties of 4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine?
4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine has a molecular weight of 243.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine is sourced from PubChem (CID 116898890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).