6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid

C8H11N3O2 — CID 84657835

IUPAC6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1c(N)ncnc1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-4(2)5-6(8(12)13)10-3-11-7(5)9/h3-4H,1-2H3,(H,12,13)(H2,9,10,11)
InChIKeyWIWLNIKXLRYBIK-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.88
Rot. Bonds2

About 6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid

6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 84657835) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID84657835
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1c(N)ncnc1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-4(2)5-6(8(12)13)10-3-11-7(5)9/h3-4H,1-2H3,(H,12,13)(H2,9,10,11)
InChIKeyWIWLNIKXLRYBIK-UHFFFAOYSA-N
XLogP0.88
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid
CID 84666802
6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63728275
6-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylpyrimidin-4-amine
CID 80861603
5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
CID 83529452
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80790850
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide
CID 80882078
6-amino-5-cyclobutylpyrimidine-4-carboxylic acid
CID 84664616
4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 104830574
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280798
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid (CID 84657835) is 6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1c(N)ncnc1C(=O)O.
What is the InChIKey of 6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is WIWLNIKXLRYBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4(2)5-6(8(12)13)10-3-11-7(5)9/h3-4H,1-2H3,(H,12,13)(H2,9,10,11).
What are the key properties of 6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid?
6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 84657835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).