6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione

C18H34N4O2 — CID 21331378

IUPAC6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione
SMILESCCCNCCCn1c(CC)cc(=O)n(CCCNCCC)c1=O
InChIInChI=1S/C18H34N4O2/c1-4-9-19-11-7-13-21-16(6-3)15-17(23)22(18(21)24)14-8-12-20-10-5-2/h15,19-20H,4-14H2,1-3H3
InChIKeyKPTTZXBTPVJDLN-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.35
Rot. Bonds13

About 6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione

6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione (PubChem CID 21331378) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione
PubChem CID21331378
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione
SMILESCCCNCCCn1c(CC)cc(=O)n(CCCNCCC)c1=O
InChIInChI=1S/C18H34N4O2/c1-4-9-19-11-7-13-21-16(6-3)15-17(23)22(18(21)24)14-8-12-20-10-5-2/h15,19-20H,4-14H2,1-3H3
InChIKeyKPTTZXBTPVJDLN-UHFFFAOYSA-N
XLogP1.35
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.35
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 6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione (CID 21331378) is 6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione is CCCNCCCn1c(CC)cc(=O)n(CCCNCCC)c1=O.
What is the InChIKey of 6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione?
The InChIKey is KPTTZXBTPVJDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-4-9-19-11-7-13-21-16(6-3)15-17(23)22(18(21)24)14-8-12-20-10-5-2/h15,19-20H,4-14H2,1-3H3.
What are the key properties of 6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione?
6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione has a molecular weight of 338.50 g/mol, XLogP of 1.35, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-bis[3-(propylamino)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 21331378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).