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

C21H26N4O — CID 11163942

IUPAC5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine
SMILESCCc1cnc(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1
InChIInChI=1S/C21H26N4O/c1-3-16-13-22-21(23-14-16)24-18-6-7-20-17(11-18)12-19(26-20)8-10-25-9-4-5-15(25)2/h6-7,11-15H,3-5,8-10H2,1-2H3,(H,22,23,24)/t15-/m1/s1
InChIKeyHFANPJHPCHNSRE-OAHLLOKOSA-N
MW350.47 g/mol
LogP4.56
Rot. Bonds6

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

5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine (PubChem CID 11163942) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine
PubChem CID11163942
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine
SMILESCCc1cnc(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1
InChIInChI=1S/C21H26N4O/c1-3-16-13-22-21(23-14-16)24-18-6-7-20-17(11-18)12-19(26-20)8-10-25-9-4-5-15(25)2/h6-7,11-15H,3-5,8-10H2,1-2H3,(H,22,23,24)/t15-/m1/s1
InChIKeyHFANPJHPCHNSRE-OAHLLOKOSA-N
XLogP4.56
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Sb-1578
CID 16750271
Bms-344577
CID 44473100
Picolinoyl guanidine, 21
CID 44473085
N-{n'-(2-Methyl-1-Benzofuran-5-Yl)-N-[(3s)-2-Oxo-1-(2-Oxo-2-Pyrrolidin-1-Ylethyl)azepan-3-Yl]carbamimidoyl}pyridine-3-Carboxamide
CID 44473086
Isonicotinoyl guanidine, 23
CID 44473087
Heteroaroylguanidine, 24
CID 44473088
Nicotinoyl guanidine, 29
CID 44473093
Nicotinoyl guanidine, 31
CID 44473095
Nicotinoyl guanidine, 32
CID 44473096
Nicotinoyl guanidine, 34
CID 44473098
Nicotinoyl guanidine, 35
CID 44473099
Nicotinoyl guanidine, 30
CID 44473094

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine (CID 11163942) is 5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine is CCc1cnc(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1.
What is the InChIKey of 5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine?
The InChIKey is HFANPJHPCHNSRE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-16-13-22-21(23-14-16)24-18-6-7-20-17(11-18)12-19(26-20)8-10-25-9-4-5-15(25)2/h6-7,11-15H,3-5,8-10H2,1-2H3,(H,22,23,24)/t15-/m1/s1.
What are the key properties of 5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine?
5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 11163942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).