6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C12H20N4O2 — CID 95462594

IUPAC6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1nc(NCCN(C)C)cc(C(=O)O)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)11-14-9(12(17)18)7-10(15-11)13-5-6-16(3)4/h7-8H,5-6H2,1-4H3,(H,17,18)(H,13,14,15)
InChIKeyYSUIJVZHPWAZHN-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.27
Rot. Bonds6

About 6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid

6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 95462594) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID95462594
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1nc(NCCN(C)C)cc(C(=O)O)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)11-14-9(12(17)18)7-10(15-11)13-5-6-16(3)4/h7-8H,5-6H2,1-4H3,(H,17,18)(H,13,14,15)
InChIKeyYSUIJVZHPWAZHN-UHFFFAOYSA-N
XLogP1.27
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 95462594) is 6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1nc(NCCN(C)C)cc(C(=O)O)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is YSUIJVZHPWAZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)11-14-9(12(17)18)7-10(15-11)13-5-6-16(3)4/h7-8H,5-6H2,1-4H3,(H,17,18)(H,13,14,15).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 252.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 95462594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).