ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate

C15H23N3O3 — CID 116782888

IUPACethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2(OCC)CCCCC2)nc1N
InChIInChI=1S/C15H23N3O3/c1-3-20-13(19)11-10-17-14(18-12(11)16)15(21-4-2)8-6-5-7-9-15/h10H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyKTZOSAOXRNTFRO-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.43
Rot. Bonds5

About ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate

ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate (PubChem CID 116782888) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate
PubChem CID116782888
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2(OCC)CCCCC2)nc1N
InChIInChI=1S/C15H23N3O3/c1-3-20-13(19)11-10-17-14(18-12(11)16)15(21-4-2)8-6-5-7-9-15/h10H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyKTZOSAOXRNTFRO-UHFFFAOYSA-N
XLogP2.43
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate (CID 116782888) is ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C2(OCC)CCCCC2)nc1N.
What is the InChIKey of ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate?
The InChIKey is KTZOSAOXRNTFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-20-13(19)11-10-17-14(18-12(11)16)15(21-4-2)8-6-5-7-9-15/h10H,3-9H2,1-2H3,(H2,16,17,18).
What are the key properties of ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate?
ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116782888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).