N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide

C14H20N4O5 — CID 56750091

IUPACN-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCC2CN(C(C)=O)CCO2)nc(OC)n1
InChIInChI=1S/C14H20N4O5/c1-9(19)18-4-5-23-10(8-18)7-15-13(20)11-6-12(21-2)17-14(16-11)22-3/h6,10H,4-5,7-8H2,1-3H3,(H,15,20)
InChIKeyHVQVVJWSYDPCED-UHFFFAOYSA-N
MW324.34 g/mol
LogP-0.53
Rot. Bonds5

About N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide

N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide (PubChem CID 56750091) has the molecular formula C14H20N4O5 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
PubChem CID56750091
Molecular FormulaC14H20N4O5
Molecular Weight324.34 g/mol
Exact Mass324.14
IUPAC NameN-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCC2CN(C(C)=O)CCO2)nc(OC)n1
InChIInChI=1S/C14H20N4O5/c1-9(19)18-4-5-23-10(8-18)7-15-13(20)11-6-12(21-2)17-14(16-11)22-3/h6,10H,4-5,7-8H2,1-3H3,(H,15,20)
InChIKeyHVQVVJWSYDPCED-UHFFFAOYSA-N
XLogP-0.53
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-acetylmorpholin-2-yl)methyl]-4-methoxypyridine-2-carboxamide
CID 118785820
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125163832
N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 56714322
N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 56758878
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125161657
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide
CID 126423943
N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759
5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide
CID 172888596
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
1-[(2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 125440889
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 125435518
1-[2-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 89469195

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
The IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide (CID 56750091) is N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide is COc1cc(C(=O)NCC2CN(C(C)=O)CCO2)nc(OC)n1.
What is the InChIKey of N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
The InChIKey is HVQVVJWSYDPCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5/c1-9(19)18-4-5-23-10(8-18)7-15-13(20)11-6-12(21-2)17-14(16-11)22-3/h6,10H,4-5,7-8H2,1-3H3,(H,15,20).
What are the key properties of N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide?
N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 56750091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).