6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione

C15H26N4O3 — CID 136590527

IUPAC6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione
SMILESCCCCCn1c(=O)c(CN2CCOCC2)c(N)n(C)c1=O
InChIInChI=1S/C15H26N4O3/c1-3-4-5-6-19-14(20)12(13(16)17(2)15(19)21)11-18-7-9-22-10-8-18/h3-11,16H2,1-2H3
InChIKeyAGCPKYXQYULGGK-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.15
Rot. Bonds6

About 6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione

6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione (PubChem CID 136590527) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione
PubChem CID136590527
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione
SMILESCCCCCn1c(=O)c(CN2CCOCC2)c(N)n(C)c1=O
InChIInChI=1S/C15H26N4O3/c1-3-4-5-6-19-14(20)12(13(16)17(2)15(19)21)11-18-7-9-22-10-8-18/h3-11,16H2,1-2H3
InChIKeyAGCPKYXQYULGGK-UHFFFAOYSA-N
XLogP0.15
TPSA82.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione (CID 136590527) is 6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione is CCCCCn1c(=O)c(CN2CCOCC2)c(N)n(C)c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione?
The InChIKey is AGCPKYXQYULGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-3-4-5-6-19-14(20)12(13(16)17(2)15(19)21)11-18-7-9-22-10-8-18/h3-11,16H2,1-2H3.
What are the key properties of 6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione?
6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione has a molecular weight of 310.40 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione is sourced from PubChem (CID 136590527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).