methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate

C10H13N3O4 — CID 66285632

IUPACmethyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)CCNc1ccnc(C(=O)OC)n1
InChIInChI=1S/C10H13N3O4/c1-16-8(14)4-6-11-7-3-5-12-9(13-7)10(15)17-2/h3,5H,4,6H2,1-2H3,(H,11,12,13)
InChIKeyCQLVAIVALGVMBC-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.24
Rot. Bonds5

About methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate

methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate (PubChem CID 66285632) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
PubChem CID66285632
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Namemethyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)CCNc1ccnc(C(=O)OC)n1
InChIInChI=1S/C10H13N3O4/c1-16-8(14)4-6-11-7-3-5-12-9(13-7)10(15)17-2/h3,5H,4,6H2,1-2H3,(H,11,12,13)
InChIKeyCQLVAIVALGVMBC-UHFFFAOYSA-N
XLogP0.24
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(pent-3-ynylamino)pyrimidine-2-carboxylate
CID 116644639
methyl 4-[2-(dimethylcarbamoylamino)ethylamino]pyrimidine-2-carboxylate
CID 83114374
methyl 4-(4-propan-2-yloxybutylamino)pyrimidine-2-carboxylate
CID 106012538
methyl 4-(2-phenylsulfanylethylamino)pyrimidine-2-carboxylate
CID 66286042
methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate
CID 66284658
methyl 4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidine-2-carboxylate
CID 80688690
methyl 4-[2-(triazol-1-yl)ethylamino]pyrimidine-2-carboxylate
CID 113412962
methyl 4-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrimidine-2-carboxylate
CID 114149569
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109
methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
CID 66285080
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrimidine-2-carboxylate
CID 106254630
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 81066836

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate (CID 66285632) is methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate is COC(=O)CCNc1ccnc(C(=O)OC)n1.
What is the InChIKey of methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate?
The InChIKey is CQLVAIVALGVMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-16-8(14)4-6-11-7-3-5-12-9(13-7)10(15)17-2/h3,5H,4,6H2,1-2H3,(H,11,12,13).
What are the key properties of methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate?
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate has a molecular weight of 239.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66285632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).