N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C18H23N5O2 — CID 72930567

IUPACN-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCc1cc(C)nc(CNC(=O)C(c2cccnc2)N2CCOCC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-10-14(2)22-16(21-13)12-20-18(24)17(15-4-3-5-19-11-15)23-6-8-25-9-7-23/h3-5,10-11,17H,6-9,12H2,1-2H3,(H,20,24)
InChIKeyYGTQKJVHOVKDIV-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.18
Rot. Bonds5

About N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 72930567) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID72930567
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCc1cc(C)nc(CNC(=O)C(c2cccnc2)N2CCOCC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-10-14(2)22-16(21-13)12-20-18(24)17(15-4-3-5-19-11-15)23-6-8-25-9-7-23/h3-5,10-11,17H,6-9,12H2,1-2H3,(H,20,24)
InChIKeyYGTQKJVHOVKDIV-UHFFFAOYSA-N
XLogP1.18
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 72930567) is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is Cc1cc(C)nc(CNC(=O)C(c2cccnc2)N2CCOCC2)n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is YGTQKJVHOVKDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-10-14(2)22-16(21-13)12-20-18(24)17(15-4-3-5-19-11-15)23-6-8-25-9-7-23/h3-5,10-11,17H,6-9,12H2,1-2H3,(H,20,24).
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 341.42 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 72930567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).