6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C27H28ClN3O3 — CID 90271907

IUPAC6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCN1CCn2c(C(c3ccc(Cl)cc3)C3CCCC3)nc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C27H28ClN3O3/c1-30-15-16-31-23(27(30)33)24(34-17-18-7-3-2-4-8-18)26(32)29-25(31)22(19-9-5-6-10-19)20-11-13-21(28)14-12-20/h2-4,7-8,11-14,19,22H,5-6,9-10,15-17H2,1H3
InChIKeyYKFBLDOPRBURJS-UHFFFAOYSA-N
MW477.99 g/mol
LogP4.88
Rot. Bonds6

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

6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 90271907) has the molecular formula C27H28ClN3O3 and a molecular weight of 477.99 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID90271907
Molecular FormulaC27H28ClN3O3
Molecular Weight477.99 g/mol
Exact Mass477.18
IUPAC Name6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCN1CCn2c(C(c3ccc(Cl)cc3)C3CCCC3)nc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C27H28ClN3O3/c1-30-15-16-31-23(27(30)33)24(34-17-18-7-3-2-4-8-18)26(32)29-25(31)22(19-9-5-6-10-19)20-11-13-21(28)14-12-20/h2-4,7-8,11-14,19,22H,5-6,9-10,15-17H2,1H3
InChIKeyYKFBLDOPRBURJS-UHFFFAOYSA-N
XLogP4.88
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-oxocyclohexyl)-phenylmethyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90271929
6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90271223
6-[(4-chlorophenyl)-cyclopentylmethyl]-9-hydroxy-2-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90271584
6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725868
(3S)-6-[chloro-[1-(3,5-dimethylphenyl)cyclopentyl]methyl]-2,3-dimethyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 130430287
2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725957
6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725917
9-phenylmethoxy-2-propan-2-yl-6-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90271678
benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate
CID 23937732
2-[(4-chlorophenyl)-hydroxymethyl]-1-(2-hydroxyethyl)-3-phenylmethoxypyridin-4-one
CID 21474316
2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide
CID 20662692
(4aS,11aS)-5-methyl-6,8-dioxo-7-phenylmethoxy-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxylic acid
CID 121422043

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 90271907) is 6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CN1CCn2c(C(c3ccc(Cl)cc3)C3CCCC3)nc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is YKFBLDOPRBURJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3/c1-30-15-16-31-23(27(30)33)24(34-17-18-7-3-2-4-8-18)26(32)29-25(31)22(19-9-5-6-10-19)20-11-13-21(28)14-12-20/h2-4,7-8,11-14,19,22H,5-6,9-10,15-17H2,1H3.
What are the key properties of 6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 477.99 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-cyclopentylmethyl]-2-methyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 90271907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).