ethyl propanoate;pyrimidin-2-amine

C9H15N3O2 — CID 175262860

IUPACethyl propanoate;pyrimidin-2-amine
SMILESCCOC(=O)CC.Nc1ncccn1
InChIInChI=1S/C5H10O2.C4H5N3/c1-3-5(6)7-4-2;5-4-6-2-1-3-7-4/h3-4H2,1-2H3;1-3H,(H2,5,6,7)
InChIKeyIUVSIIWWRQKUMG-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.02
Rot. Bonds2

About ethyl propanoate;pyrimidin-2-amine

ethyl propanoate;pyrimidin-2-amine (PubChem CID 175262860) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl propanoate;pyrimidin-2-amine.

Molecular Properties

Compound Nameethyl propanoate;pyrimidin-2-amine
PubChem CID175262860
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl propanoate;pyrimidin-2-amine
SMILESCCOC(=O)CC.Nc1ncccn1
InChIInChI=1S/C5H10O2.C4H5N3/c1-3-5(6)7-4-2;5-4-6-2-1-3-7-4/h3-4H2,1-2H3;1-3H,(H2,5,6,7)
InChIKeyIUVSIIWWRQKUMG-UHFFFAOYSA-N
XLogP1.02
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 173205872
ethyl propanoate;tin(2+);dichloride
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CID 174257559
ethyl propanoate;methane
CID 161360642
ethyl propanoate;pyridin-3-amine;dihydrochloride
CID 174751108
calcium;ethyl propanoate;hydride
CID 173132885
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl propanoate
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CID 13301802
azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;ethyl propanoate
CID 175267221
ethyl propanoate;1,3-thiazole
CID 174786803
ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate
CID 18796228
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CID 134663371

Frequently Asked Questions

What is the IUPAC name of ethyl propanoate;pyrimidin-2-amine?
The IUPAC name of ethyl propanoate;pyrimidin-2-amine (CID 175262860) is ethyl propanoate;pyrimidin-2-amine.
What is the SMILES notation for ethyl propanoate;pyrimidin-2-amine?
The canonical SMILES for ethyl propanoate;pyrimidin-2-amine is CCOC(=O)CC.Nc1ncccn1.
What is the InChIKey of ethyl propanoate;pyrimidin-2-amine?
The InChIKey is IUVSIIWWRQKUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H5N3/c1-3-5(6)7-4-2;5-4-6-2-1-3-7-4/h3-4H2,1-2H3;1-3H,(H2,5,6,7).
What are the key properties of ethyl propanoate;pyrimidin-2-amine?
ethyl propanoate;pyrimidin-2-amine has a molecular weight of 197.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propanoate;pyrimidin-2-amine is sourced from PubChem (CID 175262860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).