2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine

C13H13F2N3O — CID 165433928

IUPAC2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine
SMILESFC1(F)CCN(c2ncc(-c3ccoc3)cn2)CC1
InChIInChI=1S/C13H13F2N3O/c14-13(15)2-4-18(5-3-13)12-16-7-11(8-17-12)10-1-6-19-9-10/h1,6-9H,2-5H2
InChIKeyRUWYCSKIOSWOSZ-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.97
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine

2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine (PubChem CID 165433928) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine
PubChem CID165433928
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine
SMILESFC1(F)CCN(c2ncc(-c3ccoc3)cn2)CC1
InChIInChI=1S/C13H13F2N3O/c14-13(15)2-4-18(5-3-13)12-16-7-11(8-17-12)10-1-6-19-9-10/h1,6-9H,2-5H2
InChIKeyRUWYCSKIOSWOSZ-UHFFFAOYSA-N
XLogP2.97
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3232663
5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3232775
N-benzyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3232979
5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3233460
N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine
CID 3233619
N-(furan-2-ylmethyl)-N-methyl-5-pyridin-3-ylpyrimidin-4-amine
CID 3233699
N-cyclopropyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3233771
N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3234803
4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 44289422
N-(furan-2-ylmethyl)-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3233071
5-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 3233078
5-(furan-3-yl)-N-phenylpyrimidin-4-amine
CID 3233479

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine (CID 165433928) is 2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine is FC1(F)CCN(c2ncc(-c3ccoc3)cn2)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine?
The InChIKey is RUWYCSKIOSWOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-13(15)2-4-18(5-3-13)12-16-7-11(8-17-12)10-1-6-19-9-10/h1,6-9H,2-5H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine?
2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine has a molecular weight of 265.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-5-(furan-3-yl)pyrimidine is sourced from PubChem (CID 165433928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).