methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate

C12H19N3O3 — CID 66285017

IUPACmethyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate
SMILESCCOCCCNc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C12H19N3O3/c1-4-18-7-5-6-13-10-8-9(2)14-11(15-10)12(16)17-3/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyJQBZPJDBUQYGGW-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.41
Rot. Bonds7

About methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate

methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate (PubChem CID 66285017) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate
PubChem CID66285017
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate
SMILESCCOCCCNc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C12H19N3O3/c1-4-18-7-5-6-13-10-8-9(2)14-11(15-10)12(16)17-3/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyJQBZPJDBUQYGGW-UHFFFAOYSA-N
XLogP1.41
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
6-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]hexanoic acid
CID 66288196
methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285067
methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
CID 113470480
methyl 4-[2-(azepan-1-yl)ethylamino]-6-methylpyrimidine-2-carboxylate
CID 66285238
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925
methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate
CID 113479026
2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60677761

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate (CID 66285017) is methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate is CCOCCCNc1cc(C)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate?
The InChIKey is JQBZPJDBUQYGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-18-7-5-6-13-10-8-9(2)14-11(15-10)12(16)17-3/h8H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate?
methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66285017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).