6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione

C13H24N4O2 — CID 60649196

IUPAC6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione
SMILESCCCCCC(C)Nc1c(N)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O2/c1-4-6-7-8-9(3)15-10-11(14)17(5-2)13(19)16-12(10)18/h9,15H,4-8,14H2,1-3H3,(H,16,18,19)
InChIKeyKWJWTQFIIFXFAL-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.52
Rot. Bonds7

About 6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione (PubChem CID 60649196) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione
PubChem CID60649196
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione
SMILESCCCCCC(C)Nc1c(N)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O2/c1-4-6-7-8-9(3)15-10-11(14)17(5-2)13(19)16-12(10)18/h9,15H,4-8,14H2,1-3H3,(H,16,18,19)
InChIKeyKWJWTQFIIFXFAL-UHFFFAOYSA-N
XLogP1.52
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione (CID 60649196) is 6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione is CCCCCC(C)Nc1c(N)n(CC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione?
The InChIKey is KWJWTQFIIFXFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-6-7-8-9(3)15-10-11(14)17(5-2)13(19)16-12(10)18/h9,15H,4-8,14H2,1-3H3,(H,16,18,19).
What are the key properties of 6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 60649196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).