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

C20H24N4O — CID 11573592

IUPACN-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-2-amine
SMILESC[C@@H]1CCCN1CCc1cc2cc(CNc3ncccn3)ccc2o1
InChIInChI=1S/C20H24N4O/c1-15-4-2-10-24(15)11-7-18-13-17-12-16(5-6-19(17)25-18)14-23-20-21-8-3-9-22-20/h3,5-6,8-9,12-13,15H,2,4,7,10-11,14H2,1H3,(H,21,22,23)/t15-/m1/s1
InChIKeyDPPGXMCFGNQFLA-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-2-amine

N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-2-amine (PubChem CID 11573592) 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-2-amine.

Molecular Properties

Compound NameN-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-2-amine
PubChem CID11573592
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-2-amine
SMILESC[C@@H]1CCCN1CCc1cc2cc(CNc3ncccn3)ccc2o1
InChIInChI=1S/C20H24N4O/c1-15-4-2-10-24(15)11-7-18-13-17-12-16(5-6-19(17)25-18)14-23-20-21-8-3-9-22-20/h3,5-6,8-9,12-13,15H,2,4,7,10-11,14H2,1H3,(H,21,22,23)/t15-/m1/s1
InChIKeyDPPGXMCFGNQFLA-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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-2-amine (CID 11573592) is N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-2-amine is C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccn3)ccc2o1.
What is the InChIKey of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-2-amine?
The InChIKey is DPPGXMCFGNQFLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-4-2-10-24(15)11-7-18-13-17-12-16(5-6-19(17)25-18)14-23-20-21-8-3-9-22-20/h3,5-6,8-9,12-13,15H,2,4,7,10-11,14H2,1H3,(H,21,22,23)/t15-/m1/s1.
What are the key properties of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-2-amine?
N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrimidin-2-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-2-amine is sourced from PubChem (CID 11573592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).