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

C8H12N4O2 — CID 116640960

IUPAC4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid
SMILESCN(C)Cc1ncc(C(=O)O)c(N)n1
InChIInChI=1S/C8H12N4O2/c1-12(2)4-6-10-3-5(8(13)14)7(9)11-6/h3H,4H2,1-2H3,(H,13,14)(H2,9,10,11)
InChIKeyAAIJIIUXSSWZMH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.18
Rot. Bonds3

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

4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid (PubChem CID 116640960) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid
PubChem CID116640960
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid
SMILESCN(C)Cc1ncc(C(=O)O)c(N)n1
InChIInChI=1S/C8H12N4O2/c1-12(2)4-6-10-3-5(8(13)14)7(9)11-6/h3H,4H2,1-2H3,(H,13,14)(H2,9,10,11)
InChIKeyAAIJIIUXSSWZMH-UHFFFAOYSA-N
XLogP-0.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid (CID 116640960) is 4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid is CN(C)Cc1ncc(C(=O)O)c(N)n1.
What is the InChIKey of 4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is AAIJIIUXSSWZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-12(2)4-6-10-3-5(8(13)14)7(9)11-6/h3H,4H2,1-2H3,(H,13,14)(H2,9,10,11).
What are the key properties of 4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid?
4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116640960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).