methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate

C11H14N4O3 — CID 66287042

IUPACmethyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCC(=O)NC2CC2)n1
InChIInChI=1S/C11H14N4O3/c1-18-11(17)10-12-5-4-8(15-10)13-6-9(16)14-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyGDQVHHOYJDQGBZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.05
Rot. Bonds5

About methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate

methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate (PubChem CID 66287042) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate
PubChem CID66287042
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Namemethyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCC(=O)NC2CC2)n1
InChIInChI=1S/C11H14N4O3/c1-18-11(17)10-12-5-4-8(15-10)13-6-9(16)14-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyGDQVHHOYJDQGBZ-UHFFFAOYSA-N
XLogP-0.05
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
N-cyclopropyl-2-[[2-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80793366
methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
CID 66285080
methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
CID 66457492
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568213
methyl 4-[[2-(aminomethyl)cyclopentyl]amino]pyrimidine-2-carboxylate
CID 66285311
methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate
CID 66287288
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate
CID 66285647
methyl 4-[(1-methylpiperidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66284636
methyl 4-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrimidine-2-carboxylate
CID 114149569

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate (CID 66287042) is methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate is COC(=O)c1nccc(NCC(=O)NC2CC2)n1.
What is the InChIKey of methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate?
The InChIKey is GDQVHHOYJDQGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-18-11(17)10-12-5-4-8(15-10)13-6-9(16)14-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate?
methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate has a molecular weight of 250.26 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66287042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).