methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate

C8H11N3O2 — CID 66284805

IUPACmethyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
SMILESCNc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C8H11N3O2/c1-5-4-6(9-2)11-7(10-5)8(12)13-3/h4H,1-3H3,(H,9,10,11)
InChIKeyVLXGECGZOHOYGH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.61
Rot. Bonds2

About methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate

methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate (PubChem CID 66284805) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
PubChem CID66284805
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
SMILESCNc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C8H11N3O2/c1-5-4-6(9-2)11-7(10-5)8(12)13-3/h4H,1-3H3,(H,9,10,11)
InChIKeyVLXGECGZOHOYGH-UHFFFAOYSA-N
XLogP0.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66285751
methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
CID 113470480
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925
methyl 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 79249417
methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate
CID 66285830
methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate
CID 113479026
methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate
CID 107232375
methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
CID 66286088

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate (CID 66284805) is methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate is CNc1cc(C)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
The InChIKey is VLXGECGZOHOYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-4-6(9-2)11-7(10-5)8(12)13-3/h4H,1-3H3,(H,9,10,11).
What are the key properties of methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66284805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).