[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

C22H23FN6O2 — CID 127248794

IUPAC[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCOC(c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cn1
InChIInChI=1S/C22H23FN6O2/c1-14-10-25-18(12-24-14)21(30)29-7-8-31-19(13-29)20-17(11-26-22(27-20)28(2)3)15-5-4-6-16(23)9-15/h4-6,9-12,19H,7-8,13H2,1-3H3
InChIKeyQPDMNOFBZJXZGD-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.66
Rot. Bonds4

About [2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 127248794) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is [2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID127248794
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCOC(c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cn1
InChIInChI=1S/C22H23FN6O2/c1-14-10-25-18(12-24-14)21(30)29-7-8-31-19(13-29)20-17(11-26-22(27-20)28(2)3)15-5-4-6-16(23)9-15/h4-6,9-12,19H,7-8,13H2,1-3H3
InChIKeyQPDMNOFBZJXZGD-UHFFFAOYSA-N
XLogP2.66
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 127248753
[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone
CID 127248845
[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 127248837
[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127251451
[(3R)-3-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92617503
1-[2-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 127248840
[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 127248844
1-[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110266563
3-[4-[4-[2-(azetidin-1-yl)-2-oxoethyl]morpholin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 127248883
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-fluorophenyl)methanone
CID 125027072
[4-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 92618201
1-[(3R)-3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 92617650

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone (CID 127248794) is [2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCOC(c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cn1.
What is the InChIKey of [2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is QPDMNOFBZJXZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-14-10-25-18(12-24-14)21(30)29-7-8-31-19(13-29)20-17(11-26-22(27-20)28(2)3)15-5-4-6-16(23)9-15/h4-6,9-12,19H,7-8,13H2,1-3H3.
What are the key properties of [2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?
[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 422.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 127248794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).