N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine

C20H22N4O — CID 112880103

IUPACN-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NCc3ccco3)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C20H22N4O/c1-3-8-16(9-4-1)20-22-18(21-15-17-10-7-13-25-17)14-19(23-20)24-11-5-2-6-12-24/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2,(H,21,22,23)
InChIKeyFKLGXQQGJIBJMR-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.34
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine

N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112880103) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112880103
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NCc3ccco3)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C20H22N4O/c1-3-8-16(9-4-1)20-22-18(21-15-17-10-7-13-25-17)14-19(23-20)24-11-5-2-6-12-24/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2,(H,21,22,23)
InChIKeyFKLGXQQGJIBJMR-UHFFFAOYSA-N
XLogP4.34
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880164
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
N-[(2-fluorophenyl)methyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880106
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
N-[(2-fluorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879949
6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 4099468
6-(azepan-1-yl)-N-butan-2-yl-2-phenylpyrimidin-4-amine
CID 112879898
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine (CID 112880103) is N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine is c1ccc(-c2nc(NCc3ccco3)cc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is FKLGXQQGJIBJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-8-16(9-4-1)20-22-18(21-15-17-10-7-13-25-17)14-19(23-20)24-11-5-2-6-12-24/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2,(H,21,22,23).
What are the key properties of N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine?
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 334.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112880103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).