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

C29H31N3O3 — CID 86725957

IUPAC2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)nc(CC3(c4ccccc4)CCCC3)n2CCN1C1CC1
InChIInChI=1S/C29H31N3O3/c33-27-26(35-20-21-9-3-1-4-10-21)25-28(34)31(23-13-14-23)17-18-32(25)24(30-27)19-29(15-7-8-16-29)22-11-5-2-6-12-22/h1-6,9-12,23H,7-8,13-20H2
InChIKeyHBINCJBPQKUSGV-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.49
Rot. Bonds7

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

2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 86725957) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID86725957
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)nc(CC3(c4ccccc4)CCCC3)n2CCN1C1CC1
InChIInChI=1S/C29H31N3O3/c33-27-26(35-20-21-9-3-1-4-10-21)25-28(34)31(23-13-14-23)17-18-32(25)24(30-27)19-29(15-7-8-16-29)22-11-5-2-6-12-22/h1-6,9-12,23H,7-8,13-20H2
InChIKeyHBINCJBPQKUSGV-UHFFFAOYSA-N
XLogP4.49
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 86725957) is 2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is O=C1c2c(OCc3ccccc3)c(=O)nc(CC3(c4ccccc4)CCCC3)n2CCN1C1CC1.
What is the InChIKey of 2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is HBINCJBPQKUSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c33-27-26(35-20-21-9-3-1-4-10-21)25-28(34)31(23-13-14-23)17-18-32(25)24(30-27)19-29(15-7-8-16-29)22-11-5-2-6-12-22/h1-6,9-12,23H,7-8,13-20H2.
What are the key properties of 2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 469.59 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(1-phenylcyclopentyl)methyl]-9-phenylmethoxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 86725957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).