ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate

C15H23N3O2 — CID 116647833

IUPACethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(C2CCC(CC)C2)nc1N
InChIInChI=1S/C15H23N3O2/c1-4-10-6-7-11(8-10)14-17-9(3)12(13(16)18-14)15(19)20-5-2/h10-11H,4-8H2,1-3H3,(H2,16,17,18)
InChIKeyCGMJDHZAPOTACR-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.84
Rot. Bonds4

About ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate

ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate (PubChem CID 116647833) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate
PubChem CID116647833
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(C2CCC(CC)C2)nc1N
InChIInChI=1S/C15H23N3O2/c1-4-10-6-7-11(8-10)14-17-9(3)12(13(16)18-14)15(19)20-5-2/h10-11H,4-8H2,1-3H3,(H2,16,17,18)
InChIKeyCGMJDHZAPOTACR-UHFFFAOYSA-N
XLogP2.84
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate (CID 116647833) is ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(C2CCC(CC)C2)nc1N.
What is the InChIKey of ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate?
The InChIKey is CGMJDHZAPOTACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-10-6-7-11(8-10)14-17-9(3)12(13(16)18-14)15(19)20-5-2/h10-11H,4-8H2,1-3H3,(H2,16,17,18).
What are the key properties of ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate?
ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 116647833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).