1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione

C19H36N4O2 — CID 71368512

IUPAC1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione
SMILESCCNCCCCCn1c(C)cc(=O)n(CCCCCNCC)c1=O
InChIInChI=1S/C19H36N4O2/c1-4-20-12-8-6-10-14-22-17(3)16-18(24)23(19(22)25)15-11-7-9-13-21-5-2/h16,20-21H,4-15H2,1-3H3
InChIKeyDRAYRLFUPJFLTP-UHFFFAOYSA-N
MW352.52 g/mol
LogP1.88
Rot. Bonds14

About 1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione

1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione (PubChem CID 71368512) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione
PubChem CID71368512
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione
SMILESCCNCCCCCn1c(C)cc(=O)n(CCCCCNCC)c1=O
InChIInChI=1S/C19H36N4O2/c1-4-20-12-8-6-10-14-22-17(3)16-18(24)23(19(22)25)15-11-7-9-13-21-5-2/h16,20-21H,4-15H2,1-3H3
InChIKeyDRAYRLFUPJFLTP-UHFFFAOYSA-N
XLogP1.88
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione (CID 71368512) is 1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione is CCNCCCCCn1c(C)cc(=O)n(CCCCCNCC)c1=O.
What is the InChIKey of 1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione?
The InChIKey is DRAYRLFUPJFLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-4-20-12-8-6-10-14-22-17(3)16-18(24)23(19(22)25)15-11-7-9-13-21-5-2/h16,20-21H,4-15H2,1-3H3.
What are the key properties of 1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione?
1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione has a molecular weight of 352.52 g/mol, XLogP of 1.88, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 71368512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).