6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione

C14H26N4O2 — CID 107816326

IUPAC6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione
SMILESCC(C)CCCCCCNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O2/c1-10(2)8-6-4-5-7-9-16-11-12(15)18(3)14(20)17-13(11)19/h10,16H,4-9,15H2,1-3H3,(H,17,19,20)
InChIKeyLNEOWXPNFHXMQY-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.67
Rot. Bonds8

About 6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione

6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione (PubChem CID 107816326) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione
PubChem CID107816326
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione
SMILESCC(C)CCCCCCNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O2/c1-10(2)8-6-4-5-7-9-16-11-12(15)18(3)14(20)17-13(11)19/h10,16H,4-9,15H2,1-3H3,(H,17,19,20)
InChIKeyLNEOWXPNFHXMQY-UHFFFAOYSA-N
XLogP1.67
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.67
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-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione (CID 107816326) is 6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione is CC(C)CCCCCCNc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione?
The InChIKey is LNEOWXPNFHXMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10(2)8-6-4-5-7-9-16-11-12(15)18(3)14(20)17-13(11)19/h10,16H,4-9,15H2,1-3H3,(H,17,19,20).
What are the key properties of 6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione has a molecular weight of 282.39 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 107816326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).