methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate

C13H20N4O2 — CID 141092846

IUPACmethyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCc1c(N)ncnc1N1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H20N4O2/c1-3-10-11(14)15-8-16-12(10)17-6-4-9(5-7-17)13(18)19-2/h8-9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyDHPVMABCCZSONH-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.01
Rot. Bonds3

About methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate

methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 141092846) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID141092846
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCc1c(N)ncnc1N1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H20N4O2/c1-3-10-11(14)15-8-16-12(10)17-6-4-9(5-7-17)13(18)19-2/h8-9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyDHPVMABCCZSONH-UHFFFAOYSA-N
XLogP1.01
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate (CID 141092846) is methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate is CCc1c(N)ncnc1N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is DHPVMABCCZSONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-10-11(14)15-8-16-12(10)17-6-4-9(5-7-17)13(18)19-2/h8-9H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate?
methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 141092846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).