6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione

C19H25N5O5 — CID 9355255

IUPAC6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N2CCOCC2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1=O
InChIInChI=1S/C19H25N5O5/c1-2-3-8-22-17(20)16(21-9-11-29-12-10-21)18(25)23(19(22)26)13-14-4-6-15(7-5-14)24(27)28/h4-7H,2-3,8-13,20H2,1H3
InChIKeyWPJHPCFOVPLDAT-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.19
Rot. Bonds7

About 6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione

6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 9355255) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is 6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
PubChem CID9355255
Molecular FormulaC19H25N5O5
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Name6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N2CCOCC2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1=O
InChIInChI=1S/C19H25N5O5/c1-2-3-8-22-17(20)16(21-9-11-29-12-10-21)18(25)23(19(22)26)13-14-4-6-15(7-5-14)24(27)28/h4-7H,2-3,8-13,20H2,1H3
InChIKeyWPJHPCFOVPLDAT-UHFFFAOYSA-N
XLogP1.19
TPSA125.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione (CID 9355255) is 6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione is CCCCn1c(N)c(N2CCOCC2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1=O.
What is the InChIKey of 6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is WPJHPCFOVPLDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5/c1-2-3-8-22-17(20)16(21-9-11-29-12-10-21)18(25)23(19(22)26)13-14-4-6-15(7-5-14)24(27)28/h4-7H,2-3,8-13,20H2,1H3.
What are the key properties of 6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione?
6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 403.44 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 9355255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).