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

C17H19ClN4O2 — CID 109365603

IUPAC[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C17H19ClN4O2/c1-11-3-4-13(9-14(11)18)21-16-10-15(19-12(2)20-16)17(23)22-5-7-24-8-6-22/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21)
InChIKeyALHBWVUKWWXVJY-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.96
Rot. Bonds3

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

[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109365603) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109365603
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C17H19ClN4O2/c1-11-3-4-13(9-14(11)18)21-16-10-15(19-12(2)20-16)17(23)22-5-7-24-8-6-22/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21)
InChIKeyALHBWVUKWWXVJY-UHFFFAOYSA-N
XLogP2.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365604
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367102
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
azepan-1-yl-[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847771
[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367079
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365583
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 112848726
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365559
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 167862130
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365263
6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928

Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109365603) is [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ALHBWVUKWWXVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11-3-4-13(9-14(11)18)21-16-10-15(19-12(2)20-16)17(23)22-5-7-24-8-6-22/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21).
What are the key properties of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 346.82 g/mol, XLogP of 2.96, 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-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109365603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).