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

C19H22N4O — CID 11709569

IUPACN-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine
SMILESC[C@@H]1CCCN1CCc1cc2cc(Nc3cncnc3)ccc2o1
InChIInChI=1S/C19H22N4O/c1-14-3-2-7-23(14)8-6-18-10-15-9-16(4-5-19(15)24-18)22-17-11-20-13-21-12-17/h4-5,9-14,22H,2-3,6-8H2,1H3/t14-/m1/s1
InChIKeyNLPMLTRUKLCZIM-CQSZACIVSA-N
MW322.41 g/mol
LogP3.99
Rot. Bonds5

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

N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine (PubChem CID 11709569) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine
PubChem CID11709569
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine
SMILESC[C@@H]1CCCN1CCc1cc2cc(Nc3cncnc3)ccc2o1
InChIInChI=1S/C19H22N4O/c1-14-3-2-7-23(14)8-6-18-10-15-9-16(4-5-19(15)24-18)22-17-11-20-13-21-12-17/h4-5,9-14,22H,2-3,6-8H2,1H3/t14-/m1/s1
InChIKeyNLPMLTRUKLCZIM-CQSZACIVSA-N
XLogP3.99
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.99
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]pyrimidin-5-amine?
The IUPAC name of N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine (CID 11709569) is N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine.
What is the SMILES notation for N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine?
The canonical SMILES for N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine is C[C@@H]1CCCN1CCc1cc2cc(Nc3cncnc3)ccc2o1.
What is the InChIKey of N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine?
The InChIKey is NLPMLTRUKLCZIM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-3-2-7-23(14)8-6-18-10-15-9-16(4-5-19(15)24-18)22-17-11-20-13-21-12-17/h4-5,9-14,22H,2-3,6-8H2,1H3/t14-/m1/s1.
What are the key properties of N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine?
N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-5-amine has a molecular weight of 322.41 g/mol, XLogP of 3.99, 5 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]pyrimidin-5-amine is sourced from PubChem (CID 11709569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).