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

C33H35N3O3 — CID 86725917

IUPAC6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CCn2c(CC3(c4ccc5ccccc5c4)CCCC3)nc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C33H35N3O3/c1-23(2)35-18-19-36-28(34-31(37)30(29(36)32(35)38)39-22-24-10-4-3-5-11-24)21-33(16-8-9-17-33)27-15-14-25-12-6-7-13-26(25)20-27/h3-7,10-15,20,23H,8-9,16-19,21-22H2,1-2H3
InChIKeyVCVWINJUOVISLZ-UHFFFAOYSA-N
MW521.66 g/mol
LogP5.89
Rot. Bonds7

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

6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 86725917) has the molecular formula C33H35N3O3 and a molecular weight of 521.66 g/mol. Its IUPAC name is 6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID86725917
Molecular FormulaC33H35N3O3
Molecular Weight521.66 g/mol
Exact Mass521.27
IUPAC Name6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CCn2c(CC3(c4ccc5ccccc5c4)CCCC3)nc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C33H35N3O3/c1-23(2)35-18-19-36-28(34-31(37)30(29(36)32(35)38)39-22-24-10-4-3-5-11-24)21-33(16-8-9-17-33)27-15-14-25-12-6-7-13-26(25)20-27/h3-7,10-15,20,23H,8-9,16-19,21-22H2,1-2H3
InChIKeyVCVWINJUOVISLZ-UHFFFAOYSA-N
XLogP5.89
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 86725917) is 6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CC(C)N1CCn2c(CC3(c4ccc5ccccc5c4)CCCC3)nc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is VCVWINJUOVISLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O3/c1-23(2)35-18-19-36-28(34-31(37)30(29(36)32(35)38)39-22-24-10-4-3-5-11-24)21-33(16-8-9-17-33)27-15-14-25-12-6-7-13-26(25)20-27/h3-7,10-15,20,23H,8-9,16-19,21-22H2,1-2H3.
What are the key properties of 6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 521.66 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-naphthalen-2-ylcyclopentyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 86725917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).