N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide

C19H24N4O4 — CID 91904027

IUPACN-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)c1
InChIInChI=1S/C19H24N4O4/c1-14-10-18(25)23(19(21-14)22-6-8-27-9-7-22)13-17(24)20-12-15-4-3-5-16(11-15)26-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,20,24)
InChIKeyNXDKYRBXXYRXOE-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.71
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide

N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 91904027) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide
PubChem CID91904027
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)c1
InChIInChI=1S/C19H24N4O4/c1-14-10-18(25)23(19(21-14)22-6-8-27-9-7-22)13-17(24)20-12-15-4-3-5-16(11-15)26-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,20,24)
InChIKeyNXDKYRBXXYRXOE-UHFFFAOYSA-N
XLogP0.71
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide (CID 91904027) is N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide is COc1cccc(CNC(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is NXDKYRBXXYRXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-14-10-18(25)23(19(21-14)22-6-8-27-9-7-22)13-17(24)20-12-15-4-3-5-16(11-15)26-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 372.43 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 91904027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).