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

C15H26N4O2 — CID 60648943

IUPAC6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H26N4O2/c1-10(2)9-19-13(16)12(14(20)18-15(19)21)17-11-7-5-3-4-6-8-11/h10-11,17H,3-9,16H2,1-2H3,(H,18,20,21)
InChIKeyRKIMOHQXDAVNRJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.91
Rot. Bonds4

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

6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 60648943) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID60648943
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H26N4O2/c1-10(2)9-19-13(16)12(14(20)18-15(19)21)17-11-7-5-3-4-6-8-11/h10-11,17H,3-9,16H2,1-2H3,(H,18,20,21)
InChIKeyRKIMOHQXDAVNRJ-UHFFFAOYSA-N
XLogP1.91
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 60648943) is 6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NC2CCCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is RKIMOHQXDAVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)9-19-13(16)12(14(20)18-15(19)21)17-11-7-5-3-4-6-8-11/h10-11,17H,3-9,16H2,1-2H3,(H,18,20,21).
What are the key properties of 6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 294.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(cycloheptylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 60648943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).