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

C22H31N5O4 — CID 4221772

IUPAC2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide
SMILESCCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NC(C)c2ccccc2)c1=O
InChIInChI=1S/C22H31N5O4/c1-3-4-10-26-20(23)19(25-11-13-31-14-12-25)21(29)27(22(26)30)15-18(28)24-16(2)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15,23H2,1-2H3,(H,24,28)
InChIKeySNAHMRNJWXSVQY-UHFFFAOYSA-N
MW429.52 g/mol
LogP1.11
Rot. Bonds8

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

2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide (PubChem CID 4221772) 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-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide
PubChem CID4221772
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-(1-phenylethyl)acetamide
SMILESCCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NC(C)c2ccccc2)c1=O
InChIInChI=1S/C22H31N5O4/c1-3-4-10-26-20(23)19(25-11-13-31-14-12-25)21(29)27(22(26)30)15-18(28)24-16(2)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15,23H2,1-2H3,(H,24,28)
InChIKeySNAHMRNJWXSVQY-UHFFFAOYSA-N
XLogP1.11
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide (CID 4221772) is 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide is CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NC(C)c2ccccc2)c1=O.
What is the InChIKey of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is SNAHMRNJWXSVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-3-4-10-26-20(23)19(25-11-13-31-14-12-25)21(29)27(22(26)30)15-18(28)24-16(2)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15,23H2,1-2H3,(H,24,28).
What are the key properties of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide?
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 429.52 g/mol, XLogP of 1.11, 8 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 4221772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).