2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid

C8H12N4O2 — CID 84666802

IUPAC2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1c(N)nc(N)nc1C(=O)O
InChIInChI=1S/C8H12N4O2/c1-3(2)4-5(7(13)14)11-8(10)12-6(4)9/h3H,1-2H3,(H,13,14)(H4,9,10,11,12)
InChIKeyGFPMPKIXUWDEMC-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.46
Rot. Bonds2

About 2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid

2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 84666802) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID84666802
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1c(N)nc(N)nc1C(=O)O
InChIInChI=1S/C8H12N4O2/c1-3(2)4-5(7(13)14)11-8(10)12-6(4)9/h3H,1-2H3,(H,13,14)(H4,9,10,11,12)
InChIKeyGFPMPKIXUWDEMC-UHFFFAOYSA-N
XLogP0.46
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid (CID 84666802) is 2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1c(N)nc(N)nc1C(=O)O.
What is the InChIKey of 2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is GFPMPKIXUWDEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-3(2)4-5(7(13)14)11-8(10)12-6(4)9/h3H,1-2H3,(H,13,14)(H4,9,10,11,12).
What are the key properties of 2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid?
2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 84666802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).