1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone

C17H18N4O3 — CID 109300644

IUPAC1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nccc(C(=O)N3CCOCC3)n2)c1
InChIInChI=1S/C17H18N4O3/c1-12(22)13-3-2-4-14(11-13)19-17-18-6-5-15(20-17)16(23)21-7-9-24-10-8-21/h2-6,11H,7-10H2,1H3,(H,18,19,20)
InChIKeyHPRMFEIYVODRML-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.90
Rot. Bonds4

About 1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone

1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone (PubChem CID 109300644) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
PubChem CID109300644
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nccc(C(=O)N3CCOCC3)n2)c1
InChIInChI=1S/C17H18N4O3/c1-12(22)13-3-2-4-14(11-13)19-17-18-6-5-15(20-17)16(23)21-7-9-24-10-8-21/h2-6,11H,7-10H2,1H3,(H,18,19,20)
InChIKeyHPRMFEIYVODRML-UHFFFAOYSA-N
XLogP1.90
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109252160
N-[3-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109297792
1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone
CID 109276512
methyl 3-[[4-(azepane-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109313344
[2-(3-bromo-4-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300629
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640
1-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
1-[3-[[4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905634
[2-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298556
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 100779117

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone (CID 109300644) is 1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nccc(C(=O)N3CCOCC3)n2)c1.
What is the InChIKey of 1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone?
The InChIKey is HPRMFEIYVODRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12(22)13-3-2-4-14(11-13)19-17-18-6-5-15(20-17)16(23)21-7-9-24-10-8-21/h2-6,11H,7-10H2,1H3,(H,18,19,20).
What are the key properties of 1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone?
1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone has a molecular weight of 326.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 109300644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).