2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide

C22H29N5O2 — CID 162660644

IUPAC2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide
SMILESCN(CCc1ccccc1)c1nc(NC(=O)CC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H29N5O2/c1-26(10-9-17-5-3-2-4-6-17)22-24-19(23-21(28)15-18-7-8-18)16-20(25-22)27-11-13-29-14-12-27/h2-6,16,18H,7-15H2,1H3,(H,23,24,25,28)
InChIKeyOAXAZTKWTJLHSJ-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.73
Rot. Bonds8

About 2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide

2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide (PubChem CID 162660644) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide
PubChem CID162660644
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide
SMILESCN(CCc1ccccc1)c1nc(NC(=O)CC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H29N5O2/c1-26(10-9-17-5-3-2-4-6-17)22-24-19(23-21(28)15-18-7-8-18)16-20(25-22)27-11-13-29-14-12-27/h2-6,16,18H,7-15H2,1H3,(H,23,24,25,28)
InChIKeyOAXAZTKWTJLHSJ-UHFFFAOYSA-N
XLogP2.73
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide (CID 162660644) is 2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide is CN(CCc1ccccc1)c1nc(NC(=O)CC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide?
The InChIKey is OAXAZTKWTJLHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-26(10-9-17-5-3-2-4-6-17)22-24-19(23-21(28)15-18-7-8-18)16-20(25-22)27-11-13-29-14-12-27/h2-6,16,18H,7-15H2,1H3,(H,23,24,25,28).
What are the key properties of 2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide?
2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 162660644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).