6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C33H33N3O3 — CID 90271223

IUPAC6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)nc(C(c3cccc4ccccc34)C3CCCC3)n2CCN1C1CC1
InChIInChI=1S/C33H33N3O3/c37-32-30(39-21-22-9-2-1-3-10-22)29-33(38)35(25-17-18-25)19-20-36(29)31(34-32)28(24-12-4-5-13-24)27-16-8-14-23-11-6-7-15-26(23)27/h1-3,6-11,14-16,24-25,28H,4-5,12-13,17-21H2
InChIKeySPOTUSYGSRBTLU-UHFFFAOYSA-N
MW519.65 g/mol
LogP5.92
Rot. Bonds7

About 6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 90271223) has the molecular formula C33H33N3O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is 6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID90271223
Molecular FormulaC33H33N3O3
Molecular Weight519.65 g/mol
Exact Mass519.25
IUPAC Name6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)nc(C(c3cccc4ccccc34)C3CCCC3)n2CCN1C1CC1
InChIInChI=1S/C33H33N3O3/c37-32-30(39-21-22-9-2-1-3-10-22)29-33(38)35(25-17-18-25)19-20-36(29)31(34-32)28(24-12-4-5-13-24)27-16-8-14-23-11-6-7-15-26(23)27/h1-3,6-11,14-16,24-25,28H,4-5,12-13,17-21H2
InChIKeySPOTUSYGSRBTLU-UHFFFAOYSA-N
XLogP5.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725957
6-[(4-oxocyclohexyl)-phenylmethyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90271929
6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725868
(3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 58015337
6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725917
(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
benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate
CID 58422854
(S)-cyclopentyl-(2-phenylmethoxyphenyl)methanamine
CID 171233921
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
4-benzyl-2-cyclohexyl-1H-pyrrolo[3,4-b]indol-3-one
CID 680566
benzyl (3R)-3-naphthalen-1-ylbutanoate
CID 170621952

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 90271223) is 6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is O=C1c2c(OCc3ccccc3)c(=O)nc(C(c3cccc4ccccc34)C3CCCC3)n2CCN1C1CC1.
What is the InChIKey of 6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is SPOTUSYGSRBTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O3/c37-32-30(39-21-22-9-2-1-3-10-22)29-33(38)35(25-17-18-25)19-20-36(29)31(34-32)28(24-12-4-5-13-24)27-16-8-14-23-11-6-7-15-26(23)27/h1-3,6-11,14-16,24-25,28H,4-5,12-13,17-21H2.
What are the key properties of 6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 519.65 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentyl(naphthalen-1-yl)methyl]-2-cyclopropyl-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 90271223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).