6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine

C13H16N4O — CID 126848519

IUPAC6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine
SMILESc1nc(NC2CCCNC2)cc(-c2ccoc2)n1
InChIInChI=1S/C13H16N4O/c1-2-11(7-14-4-1)17-13-6-12(15-9-16-13)10-3-5-18-8-10/h3,5-6,8-9,11,14H,1-2,4,7H2,(H,15,16,17)
InChIKeyJZAFZSCGQLPRRJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.90
Rot. Bonds3

About 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine

6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine (PubChem CID 126848519) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine
PubChem CID126848519
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine
SMILESc1nc(NC2CCCNC2)cc(-c2ccoc2)n1
InChIInChI=1S/C13H16N4O/c1-2-11(7-14-4-1)17-13-6-12(15-9-16-13)10-3-5-18-8-10/h3,5-6,8-9,11,14H,1-2,4,7H2,(H,15,16,17)
InChIKeyJZAFZSCGQLPRRJ-UHFFFAOYSA-N
XLogP1.90
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(furan-3-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240123
1-[4-(furan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-(3-piperidin-1-ylpropyl)guanidine
CID 168299110
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-cyclopropyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3233771
6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3234243
4-Chloro-6-furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10107625
4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-6-phenyl-pyrimidine
CID 10543695
4-Furan-3-yl-6-methyl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 44289415
4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 44289422
4,6-Di-furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 44289436

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine (CID 126848519) is 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine is c1nc(NC2CCCNC2)cc(-c2ccoc2)n1.
What is the InChIKey of 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is JZAFZSCGQLPRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-11(7-14-4-1)17-13-6-12(15-9-16-13)10-3-5-18-8-10/h3,5-6,8-9,11,14H,1-2,4,7H2,(H,15,16,17).
What are the key properties of 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine?
6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 126848519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).