ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate

C10H16N2O2 — CID 145450244

IUPACethane;methyl 2,5-dimethylpyrimidine-4-carboxylate
SMILESCC.COC(=O)c1nc(C)ncc1C
InChIInChI=1S/C8H10N2O2.C2H6/c1-5-4-9-6(2)10-7(5)8(11)12-3;1-2/h4H,1-3H3;1-2H3
InChIKeyHGIBYLGGJQZFKB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.91
Rot. Bonds1

About ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate

ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate (PubChem CID 145450244) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2,5-dimethylpyrimidine-4-carboxylate
PubChem CID145450244
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethane;methyl 2,5-dimethylpyrimidine-4-carboxylate
SMILESCC.COC(=O)c1nc(C)ncc1C
InChIInChI=1S/C8H10N2O2.C2H6/c1-5-4-9-6(2)10-7(5)8(11)12-3;1-2/h4H,1-3H3;1-2H3
InChIKeyHGIBYLGGJQZFKB-UHFFFAOYSA-N
XLogP1.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-2-methylpyrimidine-4-carboxylate
CID 84717183
methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 22386205
ethane;methyl 6-bromo-3-methylpyridine-2-carboxylate
CID 169269843
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid
CID 18668118
5-methoxy-2-methylpyrimidine-4-carbonyl chloride
CID 119084988
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate
CID 18175252
methyl 3-(difluoromethyl)-4-iodo-5-methylpyridine-2-carboxylate
CID 130086290
methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
CID 84728484
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate
CID 175917571

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate?
The IUPAC name of ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate (CID 145450244) is ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate.
What is the SMILES notation for ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate?
The canonical SMILES for ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate is CC.COC(=O)c1nc(C)ncc1C.
What is the InChIKey of ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate?
The InChIKey is HGIBYLGGJQZFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C2H6/c1-5-4-9-6(2)10-7(5)8(11)12-3;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate?
ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate is sourced from PubChem (CID 145450244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).