methyl 2-amino-1H-pyrimidine-2-carboxylate

C6H9N3O2 — CID 172853441

IUPACmethyl 2-amino-1H-pyrimidine-2-carboxylate
SMILESCOC(=O)C1(N)N=CC=CN1
InChIInChI=1S/C6H9N3O2/c1-11-5(10)6(7)8-3-2-4-9-6/h2-4,8H,7H2,1H3
InChIKeyYJMMTUCKPDHDDV-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.04
Rot. Bonds1

About methyl 2-amino-1H-pyrimidine-2-carboxylate

methyl 2-amino-1H-pyrimidine-2-carboxylate (PubChem CID 172853441) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl 2-amino-1H-pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1H-pyrimidine-2-carboxylate
PubChem CID172853441
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl 2-amino-1H-pyrimidine-2-carboxylate
SMILESCOC(=O)C1(N)N=CC=CN1
InChIInChI=1S/C6H9N3O2/c1-11-5(10)6(7)8-3-2-4-9-6/h2-4,8H,7H2,1H3
InChIKeyYJMMTUCKPDHDDV-UHFFFAOYSA-N
XLogP-1.04
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(trifluoromethyl)-1H-pyrimidine-2-carboxylate
CID 150589182
Methyl 2-[(1H-2-oxo-4-pyrimidinyl)amino]-acetate
CID 580018
1,2-Dihydropyrimidine-2-carboxylic acid
CID 21293370
methyl 2-methyl-1H-pyrimidine-2-carboxylate
CID 22051117
2-amino-1H-pyrimidine-2-carboxylic acid
CID 69115924
methyl 2-amino-1H-pyrazine-2-carboxylate
CID 69245214
methyl 2-chloro-1H-pyrimidine-2-carboxylate
CID 69680814
methyl 2-(2H-pyrimidine-1-carbonylamino)acetate
CID 70376493
Ethyl 1,2-dihydropyrimidine-2-carboxylate
CID 130412496
ethyl 2-chloro-1H-pyrimidine-2-carboxylate
CID 137404697
ethyl 2-(2H-pyrimidin-1-yl)acetate
CID 140392986
2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid
CID 141179572

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1H-pyrimidine-2-carboxylate?
The IUPAC name of methyl 2-amino-1H-pyrimidine-2-carboxylate (CID 172853441) is methyl 2-amino-1H-pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 2-amino-1H-pyrimidine-2-carboxylate?
The canonical SMILES for methyl 2-amino-1H-pyrimidine-2-carboxylate is COC(=O)C1(N)N=CC=CN1.
What is the InChIKey of methyl 2-amino-1H-pyrimidine-2-carboxylate?
The InChIKey is YJMMTUCKPDHDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-11-5(10)6(7)8-3-2-4-9-6/h2-4,8H,7H2,1H3.
What are the key properties of methyl 2-amino-1H-pyrimidine-2-carboxylate?
methyl 2-amino-1H-pyrimidine-2-carboxylate has a molecular weight of 155.16 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1H-pyrimidine-2-carboxylate is sourced from PubChem (CID 172853441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).