6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione

C21H29N5O4 — CID 34651310

IUPAC6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC(=O)N2CCOCC2)Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H29N5O4/c1-2-3-9-26-19(22)18(20(28)23-21(26)29)25(14-16-7-5-4-6-8-16)15-17(27)24-10-12-30-13-11-24/h4-8H,2-3,9-15,22H2,1H3,(H,23,28,29)
InChIKeyPGIBSVGOFNVPPR-UHFFFAOYSA-N
MW415.49 g/mol
LogP0.78
Rot. Bonds8

About 6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione

6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione (PubChem CID 34651310) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione
PubChem CID34651310
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC(=O)N2CCOCC2)Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H29N5O4/c1-2-3-9-26-19(22)18(20(28)23-21(26)29)25(14-16-7-5-4-6-8-16)15-17(27)24-10-12-30-13-11-24/h4-8H,2-3,9-15,22H2,1H3,(H,23,28,29)
InChIKeyPGIBSVGOFNVPPR-UHFFFAOYSA-N
XLogP0.78
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]acetyl]piperazine-1-carboxylate
CID 34651964
6-amino-5-[benzyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]-1-butylpyrimidine-2,4-dione
CID 30871138
6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione
CID 34646419
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(1-phenylethyl)acetamide
CID 43061837
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide
CID 30891861
6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 34653306
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 30871118
6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 33411212
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 30871126
6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 110009359
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 34651789
6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione
CID 60575810

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione (CID 34651310) is 6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione is CCCCn1c(N)c(N(CC(=O)N2CCOCC2)Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione?
The InChIKey is PGIBSVGOFNVPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-2-3-9-26-19(22)18(20(28)23-21(26)29)25(14-16-7-5-4-6-8-16)15-17(27)24-10-12-30-13-11-24/h4-8H,2-3,9-15,22H2,1H3,(H,23,28,29).
What are the key properties of 6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione?
6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione has a molecular weight of 415.49 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione is sourced from PubChem (CID 34651310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).