[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone

C22H25FN6O2 — CID 127248845

IUPAC[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCOC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n1
InChIInChI=1S/C22H25FN6O2/c1-4-29-10-9-18(26-29)21(30)28-11-12-31-19(14-28)20-17(13-24-22(25-20)27(2)3)15-5-7-16(23)8-6-15/h5-10,13,19H,4,11-12,14H2,1-3H3
InChIKeyQBGCTMOMIYIHMK-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.78
Rot. Bonds5

About [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone

[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone (PubChem CID 127248845) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone
PubChem CID127248845
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCOC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n1
InChIInChI=1S/C22H25FN6O2/c1-4-29-10-9-18(26-29)21(30)28-11-12-31-19(14-28)20-17(13-24-22(25-20)27(2)3)15-5-7-16(23)8-6-15/h5-10,13,19H,4,11-12,14H2,1-3H3
InChIKeyQBGCTMOMIYIHMK-UHFFFAOYSA-N
XLogP2.78
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 127248837
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-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127248794
[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 127248844
2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide
CID 127248750
5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine
CID 95804062
[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 92618212
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
CID 124952383
2-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 127248753
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
(1-propylpyrazol-3-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124955626
cyclopentyl-[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110266500

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone?
The IUPAC name of [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone (CID 127248845) is [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone is CCn1ccc(C(=O)N2CCOC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n1.
What is the InChIKey of [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone?
The InChIKey is QBGCTMOMIYIHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-4-29-10-9-18(26-29)21(30)28-11-12-31-19(14-28)20-17(13-24-22(25-20)27(2)3)15-5-7-16(23)8-6-15/h5-10,13,19H,4,11-12,14H2,1-3H3.
What are the key properties of [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone?
[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone has a molecular weight of 424.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 127248845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).