N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide

C20H20N4O2 — CID 122298854

IUPACN-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C20H20N4O2/c25-19(12-16-6-3-5-15-4-1-2-7-18(15)16)23-17-13-21-20(22-14-17)24-8-10-26-11-9-24/h1-7,13-14H,8-12H2,(H,23,25)
InChIKeyCXKQMMHDMGZTLB-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.65
Rot. Bonds4

About N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide

N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide (PubChem CID 122298854) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide
PubChem CID122298854
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C20H20N4O2/c25-19(12-16-6-3-5-15-4-1-2-7-18(15)16)23-17-13-21-20(22-14-17)24-8-10-26-11-9-24/h1-7,13-14H,8-12H2,(H,23,25)
InChIKeyCXKQMMHDMGZTLB-UHFFFAOYSA-N
XLogP2.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide (CID 122298854) is N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)Nc1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is CXKQMMHDMGZTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(12-16-6-3-5-15-4-1-2-7-18(15)16)23-17-13-21-20(22-14-17)24-8-10-26-11-9-24/h1-7,13-14H,8-12H2,(H,23,25).
What are the key properties of N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide?
N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 348.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 122298854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).