(4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one

C21H26N4O — CID 95727523

IUPAC(4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCCc1cc(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)nc(C)n1
InChIInChI=1S/C21H26N4O/c1-3-6-17-11-20(23-14(2)22-17)24-18-12-21(26)25(13-18)19-9-15-7-4-5-8-16(15)10-19/h4-5,7-8,11,18-19H,3,6,9-10,12-13H2,1-2H3,(H,22,23,24)/t18-/m1/s1
InChIKeyOMSDUKKACKBHFR-GOSISDBHSA-N
MW350.47 g/mol
LogP2.92
Rot. Bonds5

About (4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one

(4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 95727523) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID95727523
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCCc1cc(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)nc(C)n1
InChIInChI=1S/C21H26N4O/c1-3-6-17-11-20(23-14(2)22-17)24-18-12-21(26)25(13-18)19-9-15-7-4-5-8-16(15)10-19/h4-5,7-8,11,18-19H,3,6,9-10,12-13H2,1-2H3,(H,22,23,24)/t18-/m1/s1
InChIKeyOMSDUKKACKBHFR-GOSISDBHSA-N
XLogP2.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 95727523) is (4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one is CCCc1cc(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)nc(C)n1.
What is the InChIKey of (4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is OMSDUKKACKBHFR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-6-17-11-20(23-14(2)22-17)24-18-12-21(26)25(13-18)19-9-15-7-4-5-8-16(15)10-19/h4-5,7-8,11,18-19H,3,6,9-10,12-13H2,1-2H3,(H,22,23,24)/t18-/m1/s1.
What are the key properties of (4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one?
(4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 350.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 95727523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).