ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate

C14H24N4O2 — CID 80817030

IUPACethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
SMILESCCCc1c(NCC)ncnc1NCCC(=O)OCC
InChIInChI=1S/C14H24N4O2/c1-4-7-11-13(15-5-2)17-10-18-14(11)16-9-8-12(19)20-6-3/h10H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyGJFYUSWGXLUTNL-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.23
Rot. Bonds9

About ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate

ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate (PubChem CID 80817030) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
PubChem CID80817030
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nameethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
SMILESCCCc1c(NCC)ncnc1NCCC(=O)OCC
InChIInChI=1S/C14H24N4O2/c1-4-7-11-13(15-5-2)17-10-18-14(11)16-9-8-12(19)20-6-3/h10H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyGJFYUSWGXLUTNL-UHFFFAOYSA-N
XLogP2.23
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80816605
ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate
CID 80885711
ethyl 3-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 114072172
ethyl 3-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80796696
ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831496
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
CID 80787743
ethyl 3-[(6-amino-5-nitropyrimidin-4-yl)amino]propanoate
CID 46705539
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate
CID 80915942
methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80802366
ethyl 3-[(7-chloroquinazolin-4-yl)amino]propanoate
CID 51126402
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate?
The IUPAC name of ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate (CID 80817030) is ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate?
The canonical SMILES for ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate is CCCc1c(NCC)ncnc1NCCC(=O)OCC.
What is the InChIKey of ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate?
The InChIKey is GJFYUSWGXLUTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-7-11-13(15-5-2)17-10-18-14(11)16-9-8-12(19)20-6-3/h10H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate?
ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate has a molecular weight of 280.37 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 80817030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).