(5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione

C24H20N4O3 — CID 92856223

IUPAC(5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCc1cccn2c(=O)cc(CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)nc12
InChIInChI=1S/C24H20N4O3/c1-15-7-6-12-27-20(29)13-17(25-21(15)27)14-28-22(30)24(2,26-23(28)31)19-11-5-9-16-8-3-4-10-18(16)19/h3-13H,14H2,1-2H3,(H,26,31)/t24-/m1/s1
InChIKeyQNKGKUKILACGPW-XMMPIXPASA-N
MW412.45 g/mol
LogP3.12
Rot. Bonds3

About (5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione

(5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 92856223) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is (5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID92856223
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name(5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCc1cccn2c(=O)cc(CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)nc12
InChIInChI=1S/C24H20N4O3/c1-15-7-6-12-27-20(29)13-17(25-21(15)27)14-28-22(30)24(2,26-23(28)31)19-11-5-9-16-8-3-4-10-18(16)19/h3-13H,14H2,1-2H3,(H,26,31)/t24-/m1/s1
InChIKeyQNKGKUKILACGPW-XMMPIXPASA-N
XLogP3.12
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 92856223) is (5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione is Cc1cccn2c(=O)cc(CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)nc12.
What is the InChIKey of (5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is QNKGKUKILACGPW-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20N4O3/c1-15-7-6-12-27-20(29)13-17(25-21(15)27)14-28-22(30)24(2,26-23(28)31)19-11-5-9-16-8-3-4-10-18(16)19/h3-13H,14H2,1-2H3,(H,26,31)/t24-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione?
(5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 412.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 92856223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).