N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C20H29N5O5 — CID 24982924

IUPACN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCC(C)CN(C(=O)CN(C)C(=O)c1ccco1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H29N5O5/c1-12(2)9-24(15(26)11-23(5)19(28)14-7-6-8-30-14)16-17(21)25(10-13(3)4)20(29)22-18(16)27/h6-8,12-13H,9-11,21H2,1-5H3,(H,22,27,29)
InChIKeyGHIOXBSWTOANRD-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.13
Rot. Bonds8

About N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 24982924) has the molecular formula C20H29N5O5 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID24982924
Molecular FormulaC20H29N5O5
Molecular Weight419.48 g/mol
Exact Mass419.22
IUPAC NameN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCC(C)CN(C(=O)CN(C)C(=O)c1ccco1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H29N5O5/c1-12(2)9-24(15(26)11-23(5)19(28)14-7-6-8-30-14)16-17(21)25(10-13(3)4)20(29)22-18(16)27/h6-8,12-13H,9-11,21H2,1-5H3,(H,22,27,29)
InChIKeyGHIOXBSWTOANRD-UHFFFAOYSA-N
XLogP1.13
TPSA134.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 24982924) is N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CC(C)CN(C(=O)CN(C)C(=O)c1ccco1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is GHIOXBSWTOANRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O5/c1-12(2)9-24(15(26)11-23(5)19(28)14-7-6-8-30-14)16-17(21)25(10-13(3)4)20(29)22-18(16)27/h6-8,12-13H,9-11,21H2,1-5H3,(H,22,27,29).
What are the key properties of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 24982924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).