2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine

C20H22N4O2 — CID 95725231

IUPAC2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
SMILESc1cncc(CO[C@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)c1
InChIInChI=1S/C20H22N4O2/c1-4-16(10-21-7-1)15-26-18-5-2-8-24(14-18)13-17-11-22-20(23-12-17)19-6-3-9-25-19/h1,3-4,6-7,9-12,18H,2,5,8,13-15H2/t18-/m0/s1
InChIKeySNGQRIUVNARYTH-SFHVURJKSA-N
MW350.42 g/mol
LogP3.31
Rot. Bonds6

About 2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine

2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine (PubChem CID 95725231) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
PubChem CID95725231
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
SMILESc1cncc(CO[C@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)c1
InChIInChI=1S/C20H22N4O2/c1-4-16(10-21-7-1)15-26-18-5-2-8-24(14-18)13-17-11-22-20(23-12-17)19-6-3-9-25-19/h1,3-4,6-7,9-12,18H,2,5,8,13-15H2/t18-/m0/s1
InChIKeySNGQRIUVNARYTH-SFHVURJKSA-N
XLogP3.31
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine with MolForge

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Related Compounds

2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine
CID 56915979
N,N-dimethyl-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyridin-2-amine
CID 95714836
3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95722499
5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzothiadiazole
CID 95714362
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 56907304
3-[[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56913051
2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 56902027
3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42100655
[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
CID 56917412
2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol
CID 56885233
3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 77093463

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine (CID 95725231) is 2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine is c1cncc(CO[C@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is SNGQRIUVNARYTH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-16(10-21-7-1)15-26-18-5-2-8-24(14-18)13-17-11-22-20(23-12-17)19-6-3-9-25-19/h1,3-4,6-7,9-12,18H,2,5,8,13-15H2/t18-/m0/s1.
What are the key properties of 2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine?
2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 350.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 95725231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).