(3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine

C22H26N4O2 — CID 70706284

IUPAC(3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1ccc([C@@H]2CN(Cc3cnc(-c4ccco4)nc3)C[C@H]2N(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-25(2)20-15-26(14-19(20)17-6-8-18(27-3)9-7-17)13-16-11-23-22(24-12-16)21-5-4-10-28-21/h4-12,19-20H,13-15H2,1-3H3/t19-,20+/m0/s1
InChIKeyNNJOMJOVHCYXLO-VQTJNVASSA-N
MW378.48 g/mol
LogP3.27
Rot. Bonds6

About (3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine

(3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 70706284) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID70706284
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1ccc([C@@H]2CN(Cc3cnc(-c4ccco4)nc3)C[C@H]2N(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-25(2)20-15-26(14-19(20)17-6-8-18(27-3)9-7-17)13-16-11-23-22(24-12-16)21-5-4-10-28-21/h4-12,19-20H,13-15H2,1-3H3/t19-,20+/m0/s1
InChIKeyNNJOMJOVHCYXLO-VQTJNVASSA-N
XLogP3.27
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
CID 74546182
(3S,4R)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 70731889
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 156607209
2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
CID 95869290
2-[(3S,4R)-3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 72893791
(3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
CID 72912750
2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine
CID 56915979
(4R)-4-[(dimethylamino)methyl]-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]azepan-4-ol
CID 95712097
(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol
CID 118766424
(1S,5R)-3-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72894763
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 156604067

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine (CID 70706284) is (3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine is COc1ccc([C@@H]2CN(Cc3cnc(-c4ccco4)nc3)C[C@H]2N(C)C)cc1.
What is the InChIKey of (3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is NNJOMJOVHCYXLO-VQTJNVASSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25(2)20-15-26(14-19(20)17-6-8-18(27-3)9-7-17)13-16-11-23-22(24-12-16)21-5-4-10-28-21/h4-12,19-20H,13-15H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of (3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine?
(3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 378.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 70706284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).