2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide

C22H32N6O4 — CID 3907921

IUPAC2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide
SMILESCCCn1c(N)c(NCCN2CCOCC2)c(=O)n(CC(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C22H32N6O4/c1-2-9-27-20(23)19(24-8-10-26-11-13-32-14-12-26)21(30)28(22(27)31)16-18(29)25-15-17-6-4-3-5-7-17/h3-7,24H,2,8-16,23H2,1H3,(H,25,29)
InChIKeyGCXRJUZNMVDKOJ-UHFFFAOYSA-N
MW444.54 g/mol
LogP0.06
Rot. Bonds10

About 2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide

2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide (PubChem CID 3907921) has the molecular formula C22H32N6O4 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide
PubChem CID3907921
Molecular FormulaC22H32N6O4
Molecular Weight444.54 g/mol
Exact Mass444.25
IUPAC Name2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide
SMILESCCCn1c(N)c(NCCN2CCOCC2)c(=O)n(CC(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C22H32N6O4/c1-2-9-27-20(23)19(24-8-10-26-11-13-32-14-12-26)21(30)28(22(27)31)16-18(29)25-15-17-6-4-3-5-7-17/h3-7,24H,2,8-16,23H2,1H3,(H,25,29)
InChIKeyGCXRJUZNMVDKOJ-UHFFFAOYSA-N
XLogP0.06
TPSA123.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide (CID 3907921) is 2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide is CCCn1c(N)c(NCCN2CCOCC2)c(=O)n(CC(=O)NCc2ccccc2)c1=O.
What is the InChIKey of 2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide?
The InChIKey is GCXRJUZNMVDKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O4/c1-2-9-27-20(23)19(24-8-10-26-11-13-32-14-12-26)21(30)28(22(27)31)16-18(29)25-15-17-6-4-3-5-7-17/h3-7,24H,2,8-16,23H2,1H3,(H,25,29).
What are the key properties of 2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide?
2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide has a molecular weight of 444.54 g/mol, XLogP of 0.06, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(2-morpholin-4-ylethylamino)-2,6-dioxo-3-propylpyrimidin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 3907921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).