6-(3-aminopropyl)-1H-pyrimidine-2,4-dione

C7H11N3O2 — CID 54443089

IUPAC6-(3-aminopropyl)-1H-pyrimidine-2,4-dione
SMILESNCCCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c8-3-1-2-5-4-6(11)10-7(12)9-5/h4H,1-3,8H2,(H2,9,10,11,12)
InChIKeyWPNNFUZCPBLYDS-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.05
Rot. Bonds3

About 6-(3-aminopropyl)-1H-pyrimidine-2,4-dione

6-(3-aminopropyl)-1H-pyrimidine-2,4-dione (PubChem CID 54443089) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-(3-aminopropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-aminopropyl)-1H-pyrimidine-2,4-dione
PubChem CID54443089
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-(3-aminopropyl)-1H-pyrimidine-2,4-dione
SMILESNCCCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c8-3-1-2-5-4-6(11)10-7(12)9-5/h4H,1-3,8H2,(H2,9,10,11,12)
InChIKeyWPNNFUZCPBLYDS-UHFFFAOYSA-N
XLogP-1.05
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-aminopropyl)-1H-pyrimidine-2,4-dione (CID 54443089) is 6-(3-aminopropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-aminopropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-aminopropyl)-1H-pyrimidine-2,4-dione is NCCCc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(3-aminopropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WPNNFUZCPBLYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-3-1-2-5-4-6(11)10-7(12)9-5/h4H,1-3,8H2,(H2,9,10,11,12).
What are the key properties of 6-(3-aminopropyl)-1H-pyrimidine-2,4-dione?
6-(3-aminopropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54443089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).