ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate

C19H19N5O2 — CID 134208717

IUPACethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate
SMILESCCOC(=O)CCc1cc(-c2cncnc2)ccc1-c1cc(N)ncn1
InChIInChI=1S/C19H19N5O2/c1-2-26-19(25)6-4-14-7-13(15-9-21-11-22-10-15)3-5-16(14)17-8-18(20)24-12-23-17/h3,5,7-12H,2,4,6H2,1H3,(H2,20,23,24)
InChIKeyNNQVCWPKKGKEJN-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.68
Rot. Bonds6

About ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate

ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate (PubChem CID 134208717) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate
PubChem CID134208717
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Nameethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate
SMILESCCOC(=O)CCc1cc(-c2cncnc2)ccc1-c1cc(N)ncn1
InChIInChI=1S/C19H19N5O2/c1-2-26-19(25)6-4-14-7-13(15-9-21-11-22-10-15)3-5-16(14)17-8-18(20)24-12-23-17/h3,5,7-12H,2,4,6H2,1H3,(H2,20,23,24)
InChIKeyNNQVCWPKKGKEJN-UHFFFAOYSA-N
XLogP2.68
TPSA103.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide
CID 134220110
3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanoic acid;sulfuric acid
CID 134208670
3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide
CID 134208666
2-ethyl-5-pyrimidin-5-ylaniline
CID 165490184
ethyl 4-pyrimidin-5-ylbenzoate
CID 12946641
ethyl 3-[5-(4-hexylphenyl)-1H-pyrazol-4-yl]propanoate
CID 15728898
ethyl 2-oxo-6-pyrimidin-5-ylchromene-3-carboxylate
CID 46229575
ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate
CID 67182542
ethyl 3-(5-amino-2-hydroxyphenyl)propanoate
CID 3847295
ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate
CID 70859663
ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
CID 146676304
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate?
The IUPAC name of ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate (CID 134208717) is ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate?
The canonical SMILES for ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate is CCOC(=O)CCc1cc(-c2cncnc2)ccc1-c1cc(N)ncn1.
What is the InChIKey of ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate?
The InChIKey is NNQVCWPKKGKEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-26-19(25)6-4-14-7-13(15-9-21-11-22-10-15)3-5-16(14)17-8-18(20)24-12-23-17/h3,5,7-12H,2,4,6H2,1H3,(H2,20,23,24).
What are the key properties of ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate?
ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate has a molecular weight of 349.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(6-aminopyrimidin-4-yl)-5-pyrimidin-5-ylphenyl]propanoate is sourced from PubChem (CID 134208717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).