N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide

C14H17N5O2 — CID 71794861

IUPACN-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C14H17N5O2/c20-14(10-18-3-1-2-4-18)17-12-9-13(16-11-15-12)19-5-7-21-8-6-19/h1-4,9,11H,5-8,10H2,(H,15,16,17,20)
InChIKeyXUMUDUUOZFPKIU-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.75
Rot. Bonds4

About N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide

N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide (PubChem CID 71794861) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
PubChem CID71794861
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C14H17N5O2/c20-14(10-18-3-1-2-4-18)17-12-9-13(16-11-15-12)19-5-7-21-8-6-19/h1-4,9,11H,5-8,10H2,(H,15,16,17,20)
InChIKeyXUMUDUUOZFPKIU-UHFFFAOYSA-N
XLogP0.75
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544343
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544256
2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544157
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 71794855
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544202
3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544249
N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide
CID 90544116
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea
CID 701189

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide (CID 71794861) is N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)Nc1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide?
The InChIKey is XUMUDUUOZFPKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-14(10-18-3-1-2-4-18)17-12-9-13(16-11-15-12)19-5-7-21-8-6-19/h1-4,9,11H,5-8,10H2,(H,15,16,17,20).
What are the key properties of N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide?
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide has a molecular weight of 287.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 71794861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).