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

C15H28N4O2 — CID 60648913

IUPAC6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCCCC(C)Nc1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H28N4O2/c1-5-6-7-8-11(4)17-12-13(16)19(9-10(2)3)15(21)18-14(12)20/h10-11,17H,5-9,16H2,1-4H3,(H,18,20,21)
InChIKeyUBYHYSNTXGOMKN-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.16
Rot. Bonds8

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

6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 60648913) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID60648913
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCCCC(C)Nc1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H28N4O2/c1-5-6-7-8-11(4)17-12-13(16)19(9-10(2)3)15(21)18-14(12)20/h10-11,17H,5-9,16H2,1-4H3,(H,18,20,21)
InChIKeyUBYHYSNTXGOMKN-UHFFFAOYSA-N
XLogP2.16
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.16
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-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 60648913) is 6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione is CCCCCC(C)Nc1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is UBYHYSNTXGOMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-6-7-8-11(4)17-12-13(16)19(9-10(2)3)15(21)18-14(12)20/h10-11,17H,5-9,16H2,1-4H3,(H,18,20,21).
What are the key properties of 6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 296.42 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(heptan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 60648913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).