N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine

C20H24N4O — CID 11551775

IUPACN-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine
SMILESC[C@@H]1CCCN1CCc1cc2cc(CNc3cncnc3)ccc2o1
InChIInChI=1S/C20H24N4O/c1-15-3-2-7-24(15)8-6-19-10-17-9-16(4-5-20(17)25-19)11-23-18-12-21-14-22-13-18/h4-5,9-10,12-15,23H,2-3,6-8,11H2,1H3/t15-/m1/s1
InChIKeyUURUUFRIJBZCTM-OAHLLOKOSA-N
MW336.44 g/mol
LogP3.86
Rot. Bonds6

About N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine

N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine (PubChem CID 11551775) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine
PubChem CID11551775
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine
SMILESC[C@@H]1CCCN1CCc1cc2cc(CNc3cncnc3)ccc2o1
InChIInChI=1S/C20H24N4O/c1-15-3-2-7-24(15)8-6-19-10-17-9-16(4-5-20(17)25-19)11-23-18-12-21-14-22-13-18/h4-5,9-10,12-15,23H,2-3,6-8,11H2,1H3/t15-/m1/s1
InChIKeyUURUUFRIJBZCTM-OAHLLOKOSA-N
XLogP3.86
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine with MolForge

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Related Compounds

3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-2-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11213310
3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(3-methyl-3H-imidazol-4-yl)-pyridin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11248201
3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(2,3-dimethyl-3H-imidazol-4-yl)-pyrimidin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11260078
(3R)-3-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 11271115
2-[5-(3-Benzyl-2-methyl-3H-imidazol-4-yl)-pyrimidin-2-yl]-3-(2,3-dihydro-benzofuran-5-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11295833
3-Benzofuran-5-yl-2-(5-pyridin-2-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11431026
Tersolisib
CID 166532451
Jnj-10258859
CID 10074226
3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(4-methoxy-phenyl)-pyrimidin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 10907083
2-{5-[4-(2-Diethylamino-ethoxy)-phenyl]-pyrimidin-2-yl}-3-(2,3-dihydro-benzofuran-5-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11028215
(5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-amine
CID 11163942
3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-4-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11190376

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine?
The IUPAC name of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine (CID 11551775) is N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine?
The canonical SMILES for N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine is C[C@@H]1CCCN1CCc1cc2cc(CNc3cncnc3)ccc2o1.
What is the InChIKey of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine?
The InChIKey is UURUUFRIJBZCTM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-3-2-7-24(15)8-6-19-10-17-9-16(4-5-20(17)25-19)11-23-18-12-21-14-22-13-18/h4-5,9-10,12-15,23H,2-3,6-8,11H2,1H3/t15-/m1/s1.
What are the key properties of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine?
N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine has a molecular weight of 336.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-5-amine is sourced from PubChem (CID 11551775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).