methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate

C10H14IN3O2 — CID 66307220

IUPACmethyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(N)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C10H14IN3O2/c1-10(2,3)6-5(11)7(12)14-8(13-6)9(15)16-4/h1-4H3,(H2,12,13,14)
InChIKeyNRDAJRGQEZFZEI-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.75
Rot. Bonds1

About methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate

methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate (PubChem CID 66307220) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate
PubChem CID66307220
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Namemethyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(N)c(I)c(C(C)(C)C)n1
InChIInChI=1S/C10H14IN3O2/c1-10(2,3)6-5(11)7(12)14-8(13-6)9(15)16-4/h1-4H3,(H2,12,13,14)
InChIKeyNRDAJRGQEZFZEI-UHFFFAOYSA-N
XLogP1.75
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-bromo-4-tert-butyl-6-(propylamino)pyrimidine-2-carboxylate
CID 66305837
methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate
CID 66286552
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 4-fluoro-5-iodo-6-methylpyrimidine-2-carboxylate
CID 164648909
6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66305036
6-methoxycarbonyl-1,3,5-triazine-2,4-dicarboxylic acid
CID 68537450
dimethyl 2,5,6-tritert-butylpyridine-3,4-dicarboxylate
CID 14321561
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 130105555
methyl 6-amino-7H-purine-2-carboxylate
CID 45089293
6-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodopyrimidin-4-amine
CID 103150403
methyl 5-iodo-1,2,4-thiadiazole-3-carboxylate
CID 154724516
3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol
CID 66297895

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate (CID 66307220) is methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate is COC(=O)c1nc(N)c(I)c(C(C)(C)C)n1.
What is the InChIKey of methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate?
The InChIKey is NRDAJRGQEZFZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-10(2,3)6-5(11)7(12)14-8(13-6)9(15)16-4/h1-4H3,(H2,12,13,14).
What are the key properties of methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate?
methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate has a molecular weight of 335.15 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate is sourced from PubChem (CID 66307220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).