ethyl 2-amino-4-propylpyrimidine-5-carboxylate

C10H15N3O2 — CID 2777594

IUPACethyl 2-amino-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(N)ncc1C(=O)OCC
InChIInChI=1S/C10H15N3O2/c1-3-5-8-7(9(14)15-4-2)6-12-10(11)13-8/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyQYDLUXLMZMKADP-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.19
Rot. Bonds4

About ethyl 2-amino-4-propylpyrimidine-5-carboxylate

ethyl 2-amino-4-propylpyrimidine-5-carboxylate (PubChem CID 2777594) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 2-amino-4-propylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-propylpyrimidine-5-carboxylate
PubChem CID2777594
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 2-amino-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(N)ncc1C(=O)OCC
InChIInChI=1S/C10H15N3O2/c1-3-5-8-7(9(14)15-4-2)6-12-10(11)13-8/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyQYDLUXLMZMKADP-UHFFFAOYSA-N
XLogP1.19
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-propylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-propylpyrimidine-5-carboxylate (CID 2777594) is ethyl 2-amino-4-propylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-propylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-propylpyrimidine-5-carboxylate is CCCc1nc(N)ncc1C(=O)OCC.
What is the InChIKey of ethyl 2-amino-4-propylpyrimidine-5-carboxylate?
The InChIKey is QYDLUXLMZMKADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-5-8-7(9(14)15-4-2)6-12-10(11)13-8/h6H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of ethyl 2-amino-4-propylpyrimidine-5-carboxylate?
ethyl 2-amino-4-propylpyrimidine-5-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-propylpyrimidine-5-carboxylate is sourced from PubChem (CID 2777594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).