6-amino-5-propyl-1H-pyrimidine-2,4-dione

C7H11N3O2 — CID 816905

IUPAC6-amino-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(N)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-2-3-4-5(8)9-7(12)10-6(4)11/h2-3H2,1H3,(H4,8,9,10,11,12)
InChIKeyNCULTSSVNKTAEK-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.40
Rot. Bonds2

About 6-amino-5-propyl-1H-pyrimidine-2,4-dione

6-amino-5-propyl-1H-pyrimidine-2,4-dione (PubChem CID 816905) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-amino-5-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-propyl-1H-pyrimidine-2,4-dione
PubChem CID816905
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-amino-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(N)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-2-3-4-5(8)9-7(12)10-6(4)11/h2-3H2,1H3,(H4,8,9,10,11,12)
InChIKeyNCULTSSVNKTAEK-UHFFFAOYSA-N
XLogP-0.40
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-propyl-1H-pyrimidine-2,4-dione (CID 816905) is 6-amino-5-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-propyl-1H-pyrimidine-2,4-dione is CCCc1c(N)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is NCULTSSVNKTAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-3-4-5(8)9-7(12)10-6(4)11/h2-3H2,1H3,(H4,8,9,10,11,12).
What are the key properties of 6-amino-5-propyl-1H-pyrimidine-2,4-dione?
6-amino-5-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 816905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).