3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one

C24H28N6O3 — CID 10310462

IUPAC3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
SMILESCCC(c1nc2occc2c(=O)n1Cc1ccccc1)N(CCNC)Cc1cnc(=O)[nH]c1
InChIInChI=1S/C24H28N6O3/c1-3-20(29(11-10-25-2)15-18-13-26-24(32)27-14-18)21-28-22-19(9-12-33-22)23(31)30(21)16-17-7-5-4-6-8-17/h4-9,12-14,20,25H,3,10-11,15-16H2,1-2H3,(H,26,27,32)
InChIKeyQLOBDAIOVRFZMV-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.29
Rot. Bonds10

About 3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one

3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one (PubChem CID 10310462) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
PubChem CID10310462
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
SMILESCCC(c1nc2occc2c(=O)n1Cc1ccccc1)N(CCNC)Cc1cnc(=O)[nH]c1
InChIInChI=1S/C24H28N6O3/c1-3-20(29(11-10-25-2)15-18-13-26-24(32)27-14-18)21-28-22-19(9-12-33-22)23(31)30(21)16-17-7-5-4-6-8-17/h4-9,12-14,20,25H,3,10-11,15-16H2,1-2H3,(H,26,27,32)
InChIKeyQLOBDAIOVRFZMV-UHFFFAOYSA-N
XLogP2.29
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
CID 10238423
2-[1-[2-aminoethyl-[(2-methoxypyrimidin-5-yl)methyl]amino]propyl]-3-benzylfuro[2,3-d]pyrimidin-4-one
CID 10195109
2-[1-[2-aminoethyl-[(6-methoxy-3-pyridinyl)methyl]amino]propyl]-3-benzylfuro[2,3-d]pyrimidin-4-one
CID 10310448
N-[1-(3-benzyl-4-oxofuro[2,3-d]pyrimidin-2-yl)propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide
CID 10239605
3-benzyl-2-[1-[2-(methylamino)ethyl-[(1-oxidopyridin-1-ium-4-yl)methyl]amino]propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 10127484
N-[2-(methylamino)ethyl]-1-oxido-N-[1-[4-oxo-3-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidin-2-yl]propyl]pyridin-1-ium-4-carboxamide
CID 118421545
6-[1-[(4-bromophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]-5-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
CID 10311447
3-benzyl-2-[1-(1,4-diazepan-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10172468
N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-N-[2-(methylamino)ethyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 10367544
N-[1-(1-benzyl-5-methoxy-6-oxopyrimidin-2-yl)propyl]-4-fluoro-N-[2-(methylamino)ethyl]benzamide
CID 10479025
3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one
CID 10288591
5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10195168

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one (CID 10310462) is 3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one is CCC(c1nc2occc2c(=O)n1Cc1ccccc1)N(CCNC)Cc1cnc(=O)[nH]c1.
What is the InChIKey of 3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one?
The InChIKey is QLOBDAIOVRFZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-3-20(29(11-10-25-2)15-18-13-26-24(32)27-14-18)21-28-22-19(9-12-33-22)23(31)30(21)16-17-7-5-4-6-8-17/h4-9,12-14,20,25H,3,10-11,15-16H2,1-2H3,(H,26,27,32).
What are the key properties of 3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one?
3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one has a molecular weight of 448.53 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 10310462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).