methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate

C10H15N3O3 — CID 66285141

IUPACmethyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(OCC(C)(C)N)n1
InChIInChI=1S/C10H15N3O3/c1-10(2,11)6-16-7-4-5-12-8(13-7)9(14)15-3/h4-5H,6,11H2,1-3H3
InChIKeyFHECSFZJYLPWIR-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.38
Rot. Bonds4

About methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate

methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate (PubChem CID 66285141) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate
PubChem CID66285141
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(OCC(C)(C)N)n1
InChIInChI=1S/C10H15N3O3/c1-10(2,11)6-16-7-4-5-12-8(13-7)9(14)15-3/h4-5H,6,11H2,1-3H3
InChIKeyFHECSFZJYLPWIR-UHFFFAOYSA-N
XLogP0.38
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-tert-butylpyrimidine-2-carboxylate
CID 116901231
methyl 4-(2-amino-2-methylpropoxy)benzoate
CID 117053561
methyl 4-[2-(aminomethyl)cyclopentyl]oxypyrimidine-2-carboxylate
CID 66286549
methyl 4-chloropyrimidine-2-carboxylate
CID 64989066
2-[(2-methoxycarbonylpyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 79792394
methyl 4-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrimidine-2-carboxylate
CID 114149569
2-methyl-1-pyridin-2-yloxypropan-2-amine
CID 51684261
methyl 4-(2-amino-4-bromophenoxy)pyrimidine-2-carboxylate
CID 66287689
methyl 4-propan-2-ylpyrimidine-2-carboxylate
CID 59618477
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrimidine-2-carboxylate
CID 106254630
4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid
CID 124926290

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate (CID 66285141) is methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate is COC(=O)c1nccc(OCC(C)(C)N)n1.
What is the InChIKey of methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate?
The InChIKey is FHECSFZJYLPWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,11)6-16-7-4-5-12-8(13-7)9(14)15-3/h4-5H,6,11H2,1-3H3.
What are the key properties of methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate?
methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate is sourced from PubChem (CID 66285141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).