methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate

C21H32N4O5 — CID 67078340

IUPACmethyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate
SMILESCCCn1c(N)c(NC(=O)C23CCCC(C(=O)OC)(CC2)C3)c(=O)n(CCC)c1=O
InChIInChI=1S/C21H32N4O5/c1-4-11-24-15(22)14(16(26)25(12-5-2)19(24)29)23-17(27)20-7-6-8-21(13-20,10-9-20)18(28)30-3/h4-13,22H2,1-3H3,(H,23,27)
InChIKeyRTKMGUYTHZXTFL-UHFFFAOYSA-N
MW420.51 g/mol
LogP1.86
Rot. Bonds7

About methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate

methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate (PubChem CID 67078340) has the molecular formula C21H32N4O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate
PubChem CID67078340
Molecular FormulaC21H32N4O5
Molecular Weight420.51 g/mol
Exact Mass420.24
IUPAC Namemethyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate
SMILESCCCn1c(N)c(NC(=O)C23CCCC(C(=O)OC)(CC2)C3)c(=O)n(CCC)c1=O
InChIInChI=1S/C21H32N4O5/c1-4-11-24-15(22)14(16(26)25(12-5-2)19(24)29)23-17(27)20-7-6-8-21(13-20,10-9-20)18(28)30-3/h4-13,22H2,1-3H3,(H,23,27)
InChIKeyRTKMGUYTHZXTFL-UHFFFAOYSA-N
XLogP1.86
TPSA125.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]cubane-1-carboxylate
CID 67078075
ethyl 4-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate
CID 91035233
4-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylic acid
CID 18173080
N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide
CID 101226892
3-[5-[1-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)amino]ethyl]-1-bicyclo[3.2.1]octanyl]propanoic acid
CID 163806398
methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate
CID 727235
(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 18915202
5-methoxycarbonylbicyclo[3.1.1]heptane-1-carboxylate
CID 71335281
(4-nitrophenyl) 4-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]benzenesulfonate
CID 45118834
N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide
CID 12052962
6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione
CID 115279386
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
CID 60677988

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate?
The IUPAC name of methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate (CID 67078340) is methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate.
What is the SMILES notation for methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate?
The canonical SMILES for methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate is CCCn1c(N)c(NC(=O)C23CCCC(C(=O)OC)(CC2)C3)c(=O)n(CCC)c1=O.
What is the InChIKey of methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate?
The InChIKey is RTKMGUYTHZXTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5/c1-4-11-24-15(22)14(16(26)25(12-5-2)19(24)29)23-17(27)20-7-6-8-21(13-20,10-9-20)18(28)30-3/h4-13,22H2,1-3H3,(H,23,27).
What are the key properties of methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate?
methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]bicyclo[3.2.1]octane-1-carboxylate is sourced from PubChem (CID 67078340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).