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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Related Compounds

6-amino-1-butyl-3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-morpholin-4-ylpyrimidine-2,4-dione
CID 2453936
6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
CID 9355179
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 25465292
5-iodo-6-methyl-1,3-bis[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 10142825
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16959034
6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
CID 9355192
1-(bromomethyl)-4-nitrobenzene;4-(morpholin-4-ylmethyl)aniline
CID 160506473
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 9355194
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 25465766
3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one
CID 82467243
6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 33411212

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).