methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate

C8H11N3O3 — CID 14639204

IUPACmethyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate
SMILESCOCc1nc(N)ncc1C(=O)OC
InChIInChI=1S/C8H11N3O3/c1-13-4-6-5(7(12)14-2)3-10-8(9)11-6/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyVOBKDSOCDCXDDC-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.01
Rot. Bonds3

About methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate

methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate (PubChem CID 14639204) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate
PubChem CID14639204
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate
SMILESCOCc1nc(N)ncc1C(=O)OC
InChIInChI=1S/C8H11N3O3/c1-13-4-6-5(7(12)14-2)3-10-8(9)11-6/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyVOBKDSOCDCXDDC-UHFFFAOYSA-N
XLogP-0.01
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-4-bromopyrimidine-5-carboxylate
CID 131422856
methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate
CID 164554913
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646751
methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 66602450
2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 10679999
methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate
CID 143562143
methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate
CID 116646657
methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate
CID 116646618
methyl 2-amino-4-(5-bromo-2-methylphenyl)pyrimidine-5-carboxylate
CID 59113908
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
5-(methoxymethyl)pyrimidin-2-amine
CID 45080511

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate (CID 14639204) is methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate is COCc1nc(N)ncc1C(=O)OC.
What is the InChIKey of methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate?
The InChIKey is VOBKDSOCDCXDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-13-4-6-5(7(12)14-2)3-10-8(9)11-6/h3H,4H2,1-2H3,(H2,9,10,11).
What are the key properties of methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate?
methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate has a molecular weight of 197.19 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 14639204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).