6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C24H28ClN3O4 — CID 90271584

IUPAC6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1c2c(O)c(=O)nc(C(c3ccc(Cl)cc3)C3CCCC3)n2CCN1C1CCOCC1
InChIInChI=1S/C24H28ClN3O4/c25-17-7-5-16(6-8-17)19(15-3-1-2-4-15)22-26-23(30)21(29)20-24(31)27(11-12-28(20)22)18-9-13-32-14-10-18/h5-8,15,18-19,29H,1-4,9-14H2
InChIKeyDJHAXIYDSLEGCL-UHFFFAOYSA-N
MW457.96 g/mol
LogP3.56
Rot. Bonds4

About 6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 90271584) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID90271584
Molecular FormulaC24H28ClN3O4
Molecular Weight457.96 g/mol
Exact Mass457.18
IUPAC Name6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1c2c(O)c(=O)nc(C(c3ccc(Cl)cc3)C3CCCC3)n2CCN1C1CCOCC1
InChIInChI=1S/C24H28ClN3O4/c25-17-7-5-16(6-8-17)19(15-3-1-2-4-15)22-26-23(30)21(29)20-24(31)27(11-12-28(20)22)18-9-13-32-14-10-18/h5-8,15,18-19,29H,1-4,9-14H2
InChIKeyDJHAXIYDSLEGCL-UHFFFAOYSA-N
XLogP3.56
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90271907
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CID 67468989
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CID 110409417
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CID 125467242
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CID 62905150
4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7140869
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride
CID 70620318
(2S)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68694608
1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene
CID 171593388
2-bromo-6-(4-chlorophenyl)-5-(oxan-4-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one
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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 90271584) is 6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is O=C1c2c(O)c(=O)nc(C(c3ccc(Cl)cc3)C3CCCC3)n2CCN1C1CCOCC1.
What is the InChIKey of 6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is DJHAXIYDSLEGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4/c25-17-7-5-16(6-8-17)19(15-3-1-2-4-15)22-26-23(30)21(29)20-24(31)27(11-12-28(20)22)18-9-13-32-14-10-18/h5-8,15,18-19,29H,1-4,9-14H2.
What are the key properties of 6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 457.96 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 90271584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).