ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate

C8H13N3O3 — CID 54154389

IUPACethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate
SMILESCCOC(=O)C1C=C(N)N=CN1CO
InChIInChI=1S/C8H13N3O3/c1-2-14-8(13)6-3-7(9)10-4-11(6)5-12/h3-4,6,12H,2,5,9H2,1H3
InChIKeyOJZMGLRRJALKOL-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.99
Rot. Bonds3

About ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate

ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate (PubChem CID 54154389) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate
PubChem CID54154389
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Nameethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate
SMILESCCOC(=O)C1C=C(N)N=CN1CO
InChIInChI=1S/C8H13N3O3/c1-2-14-8(13)6-3-7(9)10-4-11(6)5-12/h3-4,6,12H,2,5,9H2,1H3
InChIKeyOJZMGLRRJALKOL-UHFFFAOYSA-N
XLogP-0.99
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate (CID 54154389) is ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate is CCOC(=O)C1C=C(N)N=CN1CO.
What is the InChIKey of ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate?
The InChIKey is OJZMGLRRJALKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-14-8(13)6-3-7(9)10-4-11(6)5-12/h3-4,6,12H,2,5,9H2,1H3.
What are the key properties of ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate?
ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate has a molecular weight of 199.21 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-3-(hydroxymethyl)-4H-pyrimidine-4-carboxylate is sourced from PubChem (CID 54154389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).