methyl 2-tert-butylpyrimidine-5-carboxylate

C10H14N2O2 — CID 11446870

IUPACmethyl 2-tert-butylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C(C)(C)C)nc1
InChIInChI=1S/C10H14N2O2/c1-10(2,3)9-11-5-7(6-12-9)8(13)14-4/h5-6H,1-4H3
InChIKeyPTXHPEWCENVTNK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.56
Rot. Bonds1

About methyl 2-tert-butylpyrimidine-5-carboxylate

methyl 2-tert-butylpyrimidine-5-carboxylate (PubChem CID 11446870) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-tert-butylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butylpyrimidine-5-carboxylate
PubChem CID11446870
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 2-tert-butylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C(C)(C)C)nc1
InChIInChI=1S/C10H14N2O2/c1-10(2,3)9-11-5-7(6-12-9)8(13)14-4/h5-6H,1-4H3
InChIKeyPTXHPEWCENVTNK-UHFFFAOYSA-N
XLogP1.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(methylamino)pyrimidine-5-carboxylate
CID 74890609
2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 83842915
methyl 2-tert-butyl-4-(dimethylamino)pyrimidine-5-carboxylate
CID 116865092
methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453
methyl 6-tert-butylsulfanylpyridine-3-carboxylate
CID 102546899
2-(5-methoxycarbonylpyrimidin-2-yl)ethanethioic S-acid
CID 57468294
CID 163721001
CID 163721001
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylate
CID 135268117
2-tert-butyl-4-chloropyrimidine-5-carboxylic acid;methyl 2-tert-butyl-4-chloropyrimidine-5-carboxylate
CID 167586917
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907
methyl 2-(2,2-difluorocyclopropyl)pyrimidine-5-carboxylate
CID 178137593
methyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylate
CID 141168433

Frequently Asked Questions

What is the IUPAC name of methyl 2-tert-butylpyrimidine-5-carboxylate?
The IUPAC name of methyl 2-tert-butylpyrimidine-5-carboxylate (CID 11446870) is methyl 2-tert-butylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-tert-butylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-tert-butylpyrimidine-5-carboxylate is COC(=O)c1cnc(C(C)(C)C)nc1.
What is the InChIKey of methyl 2-tert-butylpyrimidine-5-carboxylate?
The InChIKey is PTXHPEWCENVTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,3)9-11-5-7(6-12-9)8(13)14-4/h5-6H,1-4H3.
What are the key properties of methyl 2-tert-butylpyrimidine-5-carboxylate?
methyl 2-tert-butylpyrimidine-5-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butylpyrimidine-5-carboxylate is sourced from PubChem (CID 11446870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).