4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine

C14H17N3O — CID 127244796

IUPAC4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine
SMILESc1coc(CN2CCCCC2c2ccncn2)c1
InChIInChI=1S/C14H17N3O/c1-2-8-17(10-12-4-3-9-18-12)14(5-1)13-6-7-15-11-16-13/h3-4,6-7,9,11,14H,1-2,5,8,10H2
InChIKeyCGTNNBLNVVOANC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.80
Rot. Bonds3

About 4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine

4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine (PubChem CID 127244796) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine
PubChem CID127244796
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine
SMILESc1coc(CN2CCCCC2c2ccncn2)c1
InChIInChI=1S/C14H17N3O/c1-2-8-17(10-12-4-3-9-18-12)14(5-1)13-6-7-15-11-16-13/h3-4,6-7,9,11,14H,1-2,5,8,10H2
InChIKeyCGTNNBLNVVOANC-UHFFFAOYSA-N
XLogP2.80
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine-4-carboxamide, 25
CID 11426423
Triazine-4-carboxamide, 10
CID 44520935
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
N-(4-methyl-2-pyrimidinyl)-2-furamide
CID 974122
4-(2-furyl)-2-(1H-pyrrol-1-yl)pyrimidine
CID 1481666
1-[4-(2-furyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde
CID 1481670
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyrimidin-2-yl-amide
CID 10429616
4-[4-(2-Furyl)-6-(trifluoromethyl)-2-pyrimidinyl]morpholine
CID 756551
N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3232663
2-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3232916
3-[6-[Furan-2-ylmethyl(methyl)amino]pyrimidin-4-yl]benzonitrile
CID 3233580

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine?
The IUPAC name of 4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine (CID 127244796) is 4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine?
The canonical SMILES for 4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine is c1coc(CN2CCCCC2c2ccncn2)c1.
What is the InChIKey of 4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine?
The InChIKey is CGTNNBLNVVOANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-8-17(10-12-4-3-9-18-12)14(5-1)13-6-7-15-11-16-13/h3-4,6-7,9,11,14H,1-2,5,8,10H2.
What are the key properties of 4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine?
4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine is sourced from PubChem (CID 127244796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).