methyl 2-amino-6-methylpyrimidine-4-carboxylate

C7H9N3O2 — CID 818455

IUPACmethyl 2-amino-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N)n1
InChIInChI=1S/C7H9N3O2/c1-4-3-5(6(11)12-2)10-7(8)9-4/h3H,1-2H3,(H2,8,9,10)
InChIKeySLLDMQQVCIJNKE-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.15
Rot. Bonds1

About methyl 2-amino-6-methylpyrimidine-4-carboxylate

methyl 2-amino-6-methylpyrimidine-4-carboxylate (PubChem CID 818455) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is methyl 2-amino-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-methylpyrimidine-4-carboxylate
PubChem CID818455
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Namemethyl 2-amino-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N)n1
InChIInChI=1S/C7H9N3O2/c1-4-3-5(6(11)12-2)10-7(8)9-4/h3H,1-2H3,(H2,8,9,10)
InChIKeySLLDMQQVCIJNKE-UHFFFAOYSA-N
XLogP0.15
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
CID 158534965
2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide
CID 114220508
methyl 3-amino-1,2,4-triazine-5-carboxylate
CID 105430024
methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate
CID 102184443
2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide
CID 114220427
2-amino-6-methyl-N-pyrimidin-5-ylpyrimidine-4-carboxamide
CID 114220494
methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate
CID 144808196
methyl 6-methyl-4-nitropyridine-2-carboxylate
CID 55277247
methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 69357108
2-amino-N-ethyl-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 114220314
2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 114220417
2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 82171955

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-amino-6-methylpyrimidine-4-carboxylate (CID 818455) is methyl 2-amino-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-amino-6-methylpyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(N)n1.
What is the InChIKey of methyl 2-amino-6-methylpyrimidine-4-carboxylate?
The InChIKey is SLLDMQQVCIJNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-3-5(6(11)12-2)10-7(8)9-4/h3H,1-2H3,(H2,8,9,10).
What are the key properties of methyl 2-amino-6-methylpyrimidine-4-carboxylate?
methyl 2-amino-6-methylpyrimidine-4-carboxylate has a molecular weight of 167.17 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 818455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).