methyl 2-(methylamino)pyrimidine-5-carboxylate

C7H9N3O2 — CID 74890609

IUPACmethyl 2-(methylamino)pyrimidine-5-carboxylate
SMILESCNc1ncc(C(=O)OC)cn1
InChIInChI=1S/C7H9N3O2/c1-8-7-9-3-5(4-10-7)6(11)12-2/h3-4H,1-2H3,(H,8,9,10)
InChIKeySUOUYCBRRBJSHQ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.30
Rot. Bonds2

About methyl 2-(methylamino)pyrimidine-5-carboxylate

methyl 2-(methylamino)pyrimidine-5-carboxylate (PubChem CID 74890609) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is methyl 2-(methylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methylamino)pyrimidine-5-carboxylate
PubChem CID74890609
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Namemethyl 2-(methylamino)pyrimidine-5-carboxylate
SMILESCNc1ncc(C(=O)OC)cn1
InChIInChI=1S/C7H9N3O2/c1-8-7-9-3-5(4-10-7)6(11)12-2/h3-4H,1-2H3,(H,8,9,10)
InChIKeySUOUYCBRRBJSHQ-UHFFFAOYSA-N
XLogP0.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 83842915
methyl 2-tert-butylpyrimidine-5-carboxylate
CID 11446870
methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646751
methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453
CID 163721001
CID 163721001
2-(5-methoxycarbonylpyrimidin-2-yl)ethanethioic S-acid
CID 57468294
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylate
CID 135268117
2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid
CID 122060521
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
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-(methylamino)pyrimidine-5-carboxylate (CID 74890609) is methyl 2-(methylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-(methylamino)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-(methylamino)pyrimidine-5-carboxylate is CNc1ncc(C(=O)OC)cn1.
What is the InChIKey of methyl 2-(methylamino)pyrimidine-5-carboxylate?
The InChIKey is SUOUYCBRRBJSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-8-7-9-3-5(4-10-7)6(11)12-2/h3-4H,1-2H3,(H,8,9,10).
What are the key properties of methyl 2-(methylamino)pyrimidine-5-carboxylate?
methyl 2-(methylamino)pyrimidine-5-carboxylate has a molecular weight of 167.17 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 74890609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).