2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid

C9H13N3O2 — CID 79088609

IUPAC2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(CN(C)C)ncc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-6-7(9(13)14)4-10-8(11-6)5-12(2)3/h4H,5H2,1-3H3,(H,13,14)
InChIKeyRNATXNNYFAAOTP-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.54
Rot. Bonds3

About 2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid

2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 79088609) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid
PubChem CID79088609
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(CN(C)C)ncc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-6-7(9(13)14)4-10-8(11-6)5-12(2)3/h4H,5H2,1-3H3,(H,13,14)
InChIKeyRNATXNNYFAAOTP-UHFFFAOYSA-N
XLogP0.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid (CID 79088609) is 2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(CN(C)C)ncc1C(=O)O.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is RNATXNNYFAAOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-7(9(13)14)4-10-8(11-6)5-12(2)3/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid?
2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 79088609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).