6-(heptylamino)-1H-pyrimidine-2,4-dione

C11H19N3O2 — CID 146025740

IUPAC6-(heptylamino)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-2-3-4-5-6-7-12-9-8-10(15)14-11(16)13-9/h8H,2-7H2,1H3,(H3,12,13,14,15,16)
InChIKeyCJKWZSUZAXKTTJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.45
Rot. Bonds7

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

6-(heptylamino)-1H-pyrimidine-2,4-dione (PubChem CID 146025740) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(heptylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(heptylamino)-1H-pyrimidine-2,4-dione
PubChem CID146025740
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-(heptylamino)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-2-3-4-5-6-7-12-9-8-10(15)14-11(16)13-9/h8H,2-7H2,1H3,(H3,12,13,14,15,16)
InChIKeyCJKWZSUZAXKTTJ-UHFFFAOYSA-N
XLogP1.45
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(heptylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(heptylamino)-1H-pyrimidine-2,4-dione (CID 146025740) is 6-(heptylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(heptylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(heptylamino)-1H-pyrimidine-2,4-dione is CCCCCCCNc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(heptylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is CJKWZSUZAXKTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-3-4-5-6-7-12-9-8-10(15)14-11(16)13-9/h8H,2-7H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 6-(heptylamino)-1H-pyrimidine-2,4-dione?
6-(heptylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(heptylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146025740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).