methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate

C9H13N3O3 — CID 66285824

IUPACmethyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCO)n1
InChIInChI=1S/C9H13N3O3/c1-6-5-7(10-3-4-13)12-8(11-6)9(14)15-2/h5,13H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyBJPXNBQMBZVTMN-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.02
Rot. Bonds4

About methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate

methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate (PubChem CID 66285824) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
PubChem CID66285824
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCO)n1
InChIInChI=1S/C9H13N3O3/c1-6-5-7(10-3-4-13)12-8(11-6)9(14)15-2/h5,13H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyBJPXNBQMBZVTMN-UHFFFAOYSA-N
XLogP-0.02
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate
CID 66285017
6-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]hexanoic acid
CID 66288196
methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
CID 113470480
methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate
CID 107232375
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-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285067
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate (CID 66285824) is methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCCO)n1.
What is the InChIKey of methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate?
The InChIKey is BJPXNBQMBZVTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-5-7(10-3-4-13)12-8(11-6)9(14)15-2/h5,13H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate?
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate has a molecular weight of 211.22 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66285824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).