N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

C19H24N4O3 — CID 152920299

IUPACN-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC1=CC(C)=C(CNC(=O)c2ncnc(N3CCOCC3)c2C)C(=O)C1
InChIInChI=1S/C19H24N4O3/c1-12-8-13(2)15(16(24)9-12)10-20-19(25)17-14(3)18(22-11-21-17)23-4-6-26-7-5-23/h8,11H,4-7,9-10H2,1-3H3,(H,20,25)
InChIKeyUIYJOGXJOQWBEB-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.59
Rot. Bonds4

About N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 152920299) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID152920299
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC1=CC(C)=C(CNC(=O)c2ncnc(N3CCOCC3)c2C)C(=O)C1
InChIInChI=1S/C19H24N4O3/c1-12-8-13(2)15(16(24)9-12)10-20-19(25)17-14(3)18(22-11-21-17)23-4-6-26-7-5-23/h8,11H,4-7,9-10H2,1-3H3,(H,20,25)
InChIKeyUIYJOGXJOQWBEB-UHFFFAOYSA-N
XLogP1.59
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-[(3R)-3-methylpyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 158972269
ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 123952017
5-chloro-N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-methylbenzamide
CID 148904479
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823280
N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341159
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38542466
3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38543150
N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 20948791
3-methyl-5-(methylamino)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2-thiazole-4-carboxamide
CID 38544423
N,N-diethyl-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925298
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate
CID 50875632

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 152920299) is N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is CC1=CC(C)=C(CNC(=O)c2ncnc(N3CCOCC3)c2C)C(=O)C1.
What is the InChIKey of N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is UIYJOGXJOQWBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-8-13(2)15(16(24)9-12)10-20-19(25)17-14(3)18(22-11-21-17)23-4-6-26-7-5-23/h8,11H,4-7,9-10H2,1-3H3,(H,20,25).
What are the key properties of N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 152920299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).