2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid

C15H26N4O2 — CID 102994032

IUPAC2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(CC)CCCN(CC)c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C15H26N4O2/c1-5-18(6-2)9-8-10-19(7-3)15-16-11-13(14(20)21)12(4)17-15/h11H,5-10H2,1-4H3,(H,20,21)
InChIKeyKGHJIHTYIIHEAZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.04
Rot. Bonds9

About 2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid

2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 102994032) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID102994032
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(CC)CCCN(CC)c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C15H26N4O2/c1-5-18(6-2)9-8-10-19(7-3)15-16-11-13(14(20)21)12(4)17-15/h11H,5-10H2,1-4H3,(H,20,21)
InChIKeyKGHJIHTYIIHEAZ-UHFFFAOYSA-N
XLogP2.04
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid (CID 102994032) is 2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid is CCN(CC)CCCN(CC)c1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is KGHJIHTYIIHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-18(6-2)9-8-10-19(7-3)15-16-11-13(14(20)21)12(4)17-15/h11H,5-10H2,1-4H3,(H,20,21).
What are the key properties of 2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid?
2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 102994032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).