(4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C25H30N6O4 — CID 41167678

IUPAC(4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCc1cc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)CC2)nc(C(C)C)n1
InChIInChI=1S/C25H30N6O4/c1-16(2)22-26-17(3)14-20(27-22)29-9-11-30(12-10-29)21(32)15-31-23(33)25(28-24(31)34)8-13-35-19-7-5-4-6-18(19)25/h4-7,14,16H,8-13,15H2,1-3H3,(H,28,34)/t25-/m0/s1
InChIKeyFPPXQQQOSKLHIA-VWLOTQADSA-N
MW478.55 g/mol
LogP1.79
Rot. Bonds4

About (4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 41167678) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is (4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID41167678
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name(4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCc1cc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)CC2)nc(C(C)C)n1
InChIInChI=1S/C25H30N6O4/c1-16(2)22-26-17(3)14-20(27-22)29-9-11-30(12-10-29)21(32)15-31-23(33)25(28-24(31)34)8-13-35-19-7-5-4-6-18(19)25/h4-7,14,16H,8-13,15H2,1-3H3,(H,28,34)/t25-/m0/s1
InChIKeyFPPXQQQOSKLHIA-VWLOTQADSA-N
XLogP1.79
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 41167678) is (4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is Cc1cc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)CC2)nc(C(C)C)n1.
What is the InChIKey of (4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is FPPXQQQOSKLHIA-VWLOTQADSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-16(2)22-26-17(3)14-20(27-22)29-9-11-30(12-10-29)21(32)15-31-23(33)25(28-24(31)34)8-13-35-19-7-5-4-6-18(19)25/h4-7,14,16H,8-13,15H2,1-3H3,(H,28,34)/t25-/m0/s1.
What are the key properties of (4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 478.55 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 41167678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).