[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate

C14H21N3O5 — CID 7782511

IUPAC[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate
SMILESCCCn1c(N)c(C(=O)COC(=O)C(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H21N3O5/c1-5-6-17-11(15)10(12(19)16(4)14(17)21)9(18)7-22-13(20)8(2)3/h8H,5-7,15H2,1-4H3
InChIKeyCKLBPYSJMFUBCD-UHFFFAOYSA-N
MW311.34 g/mol
LogP-0.08
Rot. Bonds6

About [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate (PubChem CID 7782511) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate
PubChem CID7782511
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate
SMILESCCCn1c(N)c(C(=O)COC(=O)C(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H21N3O5/c1-5-6-17-11(15)10(12(19)16(4)14(17)21)9(18)7-22-13(20)8(2)3/h8H,5-7,15H2,1-4H3
InChIKeyCKLBPYSJMFUBCD-UHFFFAOYSA-N
XLogP-0.08
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 5022375
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2097315
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate
CID 2370579
6-Amino-1,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidineacetic acid, ethyl ester
CID 318059
Ethyl 2-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoacetate
CID 129753102
Ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoacetate
CID 320026
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] propanoate
CID 2099366
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] acetate
CID 2100929
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate
CID 2128912
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethylbutanoate
CID 2366278
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate
CID 4858054
cis-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 2400828

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate (CID 7782511) is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate is CCCn1c(N)c(C(=O)COC(=O)C(C)C)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate?
The InChIKey is CKLBPYSJMFUBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-5-6-17-11(15)10(12(19)16(4)14(17)21)9(18)7-22-13(20)8(2)3/h8H,5-7,15H2,1-4H3.
What are the key properties of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate?
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate has a molecular weight of 311.34 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 7782511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).