[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

C16H16ClFN4O2 — CID 109365604

IUPAC[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(Nc2ccc(F)c(Cl)c2)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H16ClFN4O2/c1-10-19-14(16(23)22-4-6-24-7-5-22)9-15(20-10)21-11-2-3-13(18)12(17)8-11/h2-3,8-9H,4-7H2,1H3,(H,19,20,21)
InChIKeyNCMVXVFUPQVRLY-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.79
Rot. Bonds3

About [6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109365604) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is [6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109365604
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(Nc2ccc(F)c(Cl)c2)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H16ClFN4O2/c1-10-19-14(16(23)22-4-6-24-7-5-22)9-15(20-10)21-11-2-3-13(18)12(17)8-11/h2-3,8-9H,4-7H2,1H3,(H,19,20,21)
InChIKeyNCMVXVFUPQVRLY-UHFFFAOYSA-N
XLogP2.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365603
[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 167862130
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367102
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 112848727
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848812
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853517
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365583
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367097
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-fluoroanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372936
[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114795
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365559

Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109365604) is [6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1nc(Nc2ccc(F)c(Cl)c2)cc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is NCMVXVFUPQVRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c1-10-19-14(16(23)22-4-6-24-7-5-22)9-15(20-10)21-11-2-3-13(18)12(17)8-11/h2-3,8-9H,4-7H2,1H3,(H,19,20,21).
What are the key properties of [6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 350.78 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109365604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).