[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

C23H25FN6O2 — CID 127248837

IUPAC[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCOC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c(C)n1
InChIInChI=1S/C23H25FN6O2/c1-14-18(11-25-15(2)27-14)22(31)30-9-10-32-20(13-30)21-19(12-26-23(28-21)29(3)4)16-5-7-17(24)8-6-16/h5-8,11-12,20H,9-10,13H2,1-4H3
InChIKeyUZRKVRMICMWAKH-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.97
Rot. Bonds4

About [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone (PubChem CID 127248837) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
PubChem CID127248837
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCOC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c(C)n1
InChIInChI=1S/C23H25FN6O2/c1-14-18(11-25-15(2)27-14)22(31)30-9-10-32-20(13-30)21-19(12-26-23(28-21)29(3)4)16-5-7-17(24)8-6-16/h5-8,11-12,20H,9-10,13H2,1-4H3
InChIKeyUZRKVRMICMWAKH-UHFFFAOYSA-N
XLogP2.97
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934
[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone
CID 127248845
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
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 110115620
[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 127248844
5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine
CID 95804062
[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110266569
[(3R)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 92617549
[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 127250848
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]-(2,4-dimethylpyrimidin-5-yl)methanone?
The IUPAC name of [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone (CID 127248837) is [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone is Cc1ncc(C(=O)N2CCOC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c(C)n1.
What is the InChIKey of [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
The InChIKey is UZRKVRMICMWAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-14-18(11-25-15(2)27-14)22(31)30-9-10-32-20(13-30)21-19(12-26-23(28-21)29(3)4)16-5-7-17(24)8-6-16/h5-8,11-12,20H,9-10,13H2,1-4H3.
What are the key properties of [2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone has a molecular weight of 436.49 g/mol, XLogP of 2.97, 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-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 127248837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).