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

C9H16N4O2 — CID 67923883

IUPAC5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(CN)c(CN)c1=O
InChIInChI=1S/C9H16N4O2/c1-2-3-13-8(14)6(4-10)7(5-11)12-9(13)15/h2-5,10-11H2,1H3,(H,12,15)
InChIKeyZOVHCVYQUAFWBI-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.14
Rot. Bonds4

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

5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione (PubChem CID 67923883) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione
PubChem CID67923883
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(CN)c(CN)c1=O
InChIInChI=1S/C9H16N4O2/c1-2-3-13-8(14)6(4-10)7(5-11)12-9(13)15/h2-5,10-11H2,1H3,(H,12,15)
InChIKeyZOVHCVYQUAFWBI-UHFFFAOYSA-N
XLogP-1.14
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione (CID 67923883) is 5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione is CCCn1c(=O)[nH]c(CN)c(CN)c1=O.
What is the InChIKey of 5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZOVHCVYQUAFWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-3-13-8(14)6(4-10)7(5-11)12-9(13)15/h2-5,10-11H2,1H3,(H,12,15).
What are the key properties of 5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione?
5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67923883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).