5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione

C11H20N4O2 — CID 69294271

IUPAC5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(CCN)c(CCN)c1=O
InChIInChI=1S/C11H20N4O2/c1-2-7-15-10(16)8(3-5-12)9(4-6-13)14-11(15)17/h2-7,12-13H2,1H3,(H,14,17)
InChIKeyIWEXFSQBGXAUIK-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.05
Rot. Bonds6

About 5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione

5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione (PubChem CID 69294271) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione
PubChem CID69294271
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(CCN)c(CCN)c1=O
InChIInChI=1S/C11H20N4O2/c1-2-7-15-10(16)8(3-5-12)9(4-6-13)14-11(15)17/h2-7,12-13H2,1H3,(H,14,17)
InChIKeyIWEXFSQBGXAUIK-UHFFFAOYSA-N
XLogP-1.05
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione (CID 69294271) is 5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione is CCCn1c(=O)[nH]c(CCN)c(CCN)c1=O.
What is the InChIKey of 5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is IWEXFSQBGXAUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-7-15-10(16)8(3-5-12)9(4-6-13)14-11(15)17/h2-7,12-13H2,1H3,(H,14,17).
What are the key properties of 5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione?
5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 240.31 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 69294271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).