8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane

C21H35N5O4 — CID 153352431

IUPAC8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane
SMILESCC(C)CNC1CN(C(=O)c2ccco2)C2CN(CCN)C(=O)CN2C1=O.CCC
InChIInChI=1S/C18H27N5O4.C3H8/c1-12(2)8-20-13-9-22(18(26)14-4-3-7-27-14)15-10-21(6-5-19)16(24)11-23(15)17(13)25;1-3-2/h3-4,7,12-13,15,20H,5-6,8-11,19H2,1-2H3;3H2,1-2H3
InChIKeyZXJQWDSAHANKDE-UHFFFAOYSA-N
MW421.54 g/mol
LogP0.72
Rot. Bonds6

About 8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane

8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane (PubChem CID 153352431) has the molecular formula C21H35N5O4 and a molecular weight of 421.54 g/mol. Its IUPAC name is 8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane.

Molecular Properties

Compound Name8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane
PubChem CID153352431
Molecular FormulaC21H35N5O4
Molecular Weight421.54 g/mol
Exact Mass421.27
IUPAC Name8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane
SMILESCC(C)CNC1CN(C(=O)c2ccco2)C2CN(CCN)C(=O)CN2C1=O.CCC
InChIInChI=1S/C18H27N5O4.C3H8/c1-12(2)8-20-13-9-22(18(26)14-4-3-7-27-14)15-10-21(6-5-19)16(24)11-23(15)17(13)25;1-3-2/h3-4,7,12-13,15,20H,5-6,8-11,19H2,1-2H3;3H2,1-2H3
InChIKeyZXJQWDSAHANKDE-UHFFFAOYSA-N
XLogP0.72
TPSA112.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane with MolForge

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Related Compounds

1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
CID 171564361
N-[(3S,7R)-1-(furan-2-carbonyl)-8-methylidene-7-(2-methylpropyl)-4-oxo-9-(piperidin-4-ylmethyl)-2,3,6,7,10,10a-hexahydropyrimido[1,2-a][1,4]diazepin-3-yl]-3-methylbutanamide
CID 159947104
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one
CID 110708964
N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119660086
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one
CID 113185700
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 109131470
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212515
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119673057
2-(furan-2-carbonyl)-N-(3-hydroxybutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 111433428
furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone
CID 112940523

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane?
The IUPAC name of 8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane (CID 153352431) is 8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane.
What is the SMILES notation for 8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane?
The canonical SMILES for 8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane is CC(C)CNC1CN(C(=O)c2ccco2)C2CN(CCN)C(=O)CN2C1=O.CCC.
What is the InChIKey of 8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane?
The InChIKey is ZXJQWDSAHANKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4.C3H8/c1-12(2)8-20-13-9-22(18(26)14-4-3-7-27-14)15-10-21(6-5-19)16(24)11-23(15)17(13)25;1-3-2/h3-4,7,12-13,15,20H,5-6,8-11,19H2,1-2H3;3H2,1-2H3.
What are the key properties of 8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane?
8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane has a molecular weight of 421.54 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane is sourced from PubChem (CID 153352431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).