ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate

C10H15N3O3 — CID 136956414

IUPACethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H15N3O3/c1-3-16-10(15)4-5-11-8-6-9(14)13-7(2)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyJQRYCOALZSBEQC-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.44
Rot. Bonds5

About ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate

ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate (PubChem CID 136956414) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
PubChem CID136956414
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H15N3O3/c1-3-16-10(15)4-5-11-8-6-9(14)13-7(2)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyJQRYCOALZSBEQC-UHFFFAOYSA-N
XLogP0.44
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-amino-6-hydroxypyrimidin-2-yl)acetate
CID 135667643
Ethyl 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetate
CID 135905419
Isopropyl 2-(4-hydroxypyrimidin-2-yl)acetate
CID 91042281
Ethyl 2-[4-(diethylamino)-1-methyl-6-oxopyrimidin-2-yl]acetate
CID 123565405
Ethyl 2-(4-hydroxypyrimidin-2-yl)acetate
CID 133059206
Ethyl 2-(6-chloro-4-oxo-1,4-dihydropyrimidin-2-yl)acetate
CID 136378677
methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
CID 136501535
ethyl 2-[4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 136619536
2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
CID 136877507
ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 137045061
ethyl 2-[4-(3-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 137092670
ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate;molecular hydrogen
CID 144410229

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate (CID 136956414) is ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate is CCOC(=O)CCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
The InChIKey is JQRYCOALZSBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-16-10(15)4-5-11-8-6-9(14)13-7(2)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate?
ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate has a molecular weight of 225.25 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 136956414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).