N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

C24H28N6O5 — CID 55383031

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCC(C)CN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N6O5/c1-13(2)9-29(19-21(25)30(10-14(3)4)24(34)27-22(19)32)17(31)11-28-12-26-18-15-7-5-6-8-16(15)35-20(18)23(28)33/h5-8,12-14H,9-11,25H2,1-4H3,(H,27,32,34)
InChIKeyDJNOFVLMNFXPIE-UHFFFAOYSA-N
MW480.53 g/mol
LogP1.92
Rot. Bonds7

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 55383031) has the molecular formula C24H28N6O5 and a molecular weight of 480.53 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID55383031
Molecular FormulaC24H28N6O5
Molecular Weight480.53 g/mol
Exact Mass480.21
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCC(C)CN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N6O5/c1-13(2)9-29(19-21(25)30(10-14(3)4)24(34)27-22(19)32)17(31)11-28-12-26-18-15-7-5-6-8-16(15)35-20(18)23(28)33/h5-8,12-14H,9-11,25H2,1-4H3,(H,27,32,34)
InChIKeyDJNOFVLMNFXPIE-UHFFFAOYSA-N
XLogP1.92
TPSA149.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-methyl-N-(2-methylpropyl)butanamide
CID 31288285
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N,3-bis(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55340731
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 2684449
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide
CID 31842412
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 3954861
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 29298893
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287083
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30137063
3-methyl-N-[4-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]phenyl]butanamide
CID 34597443
N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119443323
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 46821953

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (CID 55383031) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is CC(C)CN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is DJNOFVLMNFXPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O5/c1-13(2)9-29(19-21(25)30(10-14(3)4)24(34)27-22(19)32)17(31)11-28-12-26-18-15-7-5-6-8-16(15)35-20(18)23(28)33/h5-8,12-14H,9-11,25H2,1-4H3,(H,27,32,34).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 480.53 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 55383031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).