2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide

C22H31N5O4 — CID 2499945

IUPAC2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide
SMILESCCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCCc2ccccc2)c1=O
InChIInChI=1S/C22H31N5O4/c1-2-3-11-26-20(23)19(25-12-14-31-15-13-25)21(29)27(22(26)30)16-18(28)24-10-9-17-7-5-4-6-8-17/h4-8H,2-3,9-16,23H2,1H3,(H,24,28)
InChIKeyLHTSCCYPLVMPOU-UHFFFAOYSA-N
MW429.52 g/mol
LogP0.59
Rot. Bonds9

About 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide

2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 2499945) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID2499945
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Name2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide
SMILESCCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCCc2ccccc2)c1=O
InChIInChI=1S/C22H31N5O4/c1-2-3-11-26-20(23)19(25-12-14-31-15-13-25)21(29)27(22(26)30)16-18(28)24-10-9-17-7-5-4-6-8-17/h4-8H,2-3,9-16,23H2,1H3,(H,24,28)
InChIKeyLHTSCCYPLVMPOU-UHFFFAOYSA-N
XLogP0.59
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide with MolForge

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Related Compounds

6-Amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2392273
6-Amino-5-benzylamino-1-butyl-1H-pyrimidine-2,4-dione
CID 2341173
4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one
CID 155884468
6-[(2R)-2-benzylazepan-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 156458065
6-Amino-1-benzyl-5-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363702
2-[(R)-3-(2-Morpholin-4-yl-ethyl)-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10793294
ethyl N-({3-[methyl(2-phenylethyl)amino]piperidin-1-yl}carbonyl)glycinate
CID 23723929
6-Amino-1-benzyl-5-(dodecylamino)pyrimidine-2,4-dione
CID 11741734
Morpholine-4-carboxylic acid {1-[(benzyl-cyano-methyl)-carbamoyl]-3-methyl-butyl}-amide
CID 11810830
6-[(2S)-2-benzylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 156442663
6-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 156458363
6-(2-benzylpyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
CID 156458379

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide (CID 2499945) is 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide is CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCCc2ccccc2)c1=O.
What is the InChIKey of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is LHTSCCYPLVMPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-2-3-11-26-20(23)19(25-12-14-31-15-13-25)21(29)27(22(26)30)16-18(28)24-10-9-17-7-5-4-6-8-17/h4-8H,2-3,9-16,23H2,1H3,(H,24,28).
What are the key properties of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide?
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 429.52 g/mol, XLogP of 0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2499945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).