[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone

C17H20N4O2 — CID 100779117

IUPAC[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C)nc(Nc2cccc(C(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C17H20N4O2/c1-12-10-13(2)19-17(18-12)20-15-5-3-4-14(11-15)16(22)21-6-8-23-9-7-21/h3-5,10-11H,6-9H2,1-2H3,(H,18,19,20)
InChIKeyRHIDPUOBZSEMFQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.31
Rot. Bonds3

About [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone

[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 100779117) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
PubChem CID100779117
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C)nc(Nc2cccc(C(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C17H20N4O2/c1-12-10-13(2)19-17(18-12)20-15-5-3-4-14(11-15)16(22)21-6-8-23-9-7-21/h3-5,10-11H,6-9H2,1-2H3,(H,18,19,20)
InChIKeyRHIDPUOBZSEMFQ-UHFFFAOYSA-N
XLogP2.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109324521
1-[3-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109252160
methyl 3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112912186
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[6-(quinolin-8-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 175659310
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(6R)-6-(isoquinolin-7-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 129458418
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(6S)-6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125018822
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741431
1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109300644
[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 22060666
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777

Frequently Asked Questions

What is the IUPAC name of [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone (CID 100779117) is [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone is Cc1cc(C)nc(Nc2cccc(C(=O)N3CCOCC3)c2)n1.
What is the InChIKey of [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is RHIDPUOBZSEMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-10-13(2)19-17(18-12)20-15-5-3-4-14(11-15)16(22)21-6-8-23-9-7-21/h3-5,10-11H,6-9H2,1-2H3,(H,18,19,20).
What are the key properties of [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 100779117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).