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

C19H22N4O — CID 11544316

IUPACN-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine
SMILESC[C@@H]1CCCN1CCc1cc2cc(Nc3ncccn3)ccc2o1
InChIInChI=1S/C19H22N4O/c1-14-4-2-10-23(14)11-7-17-13-15-12-16(5-6-18(15)24-17)22-19-20-8-3-9-21-19/h3,5-6,8-9,12-14H,2,4,7,10-11H2,1H3,(H,20,21,22)/t14-/m1/s1
InChIKeyHUWKDKDXMMHKHN-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-2-amine

N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine (PubChem CID 11544316) 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-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine
PubChem CID11544316
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-2-amine
SMILESC[C@@H]1CCCN1CCc1cc2cc(Nc3ncccn3)ccc2o1
InChIInChI=1S/C19H22N4O/c1-14-4-2-10-23(14)11-7-17-13-15-12-16(5-6-18(15)24-17)22-19-20-8-3-9-21-19/h3,5-6,8-9,12-14H,2,4,7,10-11H2,1H3,(H,20,21,22)/t14-/m1/s1
InChIKeyHUWKDKDXMMHKHN-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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Related Compounds

Sb-1578
CID 16750271
Bms-344577
CID 44473100
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine?
The IUPAC name of N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine (CID 11544316) is N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine is C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccn3)ccc2o1.
What is the InChIKey of N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine?
The InChIKey is HUWKDKDXMMHKHN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-4-2-10-23(14)11-7-17-13-15-12-16(5-6-18(15)24-17)22-19-20-8-3-9-21-19/h3,5-6,8-9,12-14H,2,4,7,10-11H2,1H3,(H,20,21,22)/t14-/m1/s1.
What are the key properties of N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-amine?
N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrimidin-2-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-2-amine is sourced from PubChem (CID 11544316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).