N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide

C18H20N4O4 — CID 66504338

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N4O4/c1-12-14(11-19-18(20-12)22-4-6-24-7-5-22)17(23)21-13-2-3-15-16(10-13)26-9-8-25-15/h2-3,10-11H,4-9H2,1H3,(H,21,23)
InChIKeyUJVHJFWPEMEWCE-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.65
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 66504338) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID66504338
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N4O4/c1-12-14(11-19-18(20-12)22-4-6-24-7-5-22)17(23)21-13-2-3-15-16(10-13)26-9-8-25-15/h2-3,10-11H,4-9H2,1H3,(H,21,23)
InChIKeyUJVHJFWPEMEWCE-UHFFFAOYSA-N
XLogP1.65
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
CID 66504049
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
CID 110863326
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959635
N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504382
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 46345478
N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 100752853

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 66504338) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is Cc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is UJVHJFWPEMEWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-14(11-19-18(20-12)22-4-6-24-7-5-22)17(23)21-13-2-3-15-16(10-13)26-9-8-25-15/h2-3,10-11H,4-9H2,1H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 66504338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).